SCHEMBL1157075

SCHEMBL1157075

[O]C(=O)c1ccccc1[C]=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
ALOX15 P16050 2/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
TSHR P16473 3/20 0.35
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HMGB1 P09429 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA9 Q16790 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
CA14 Q9ULX7 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8385 0.81 ALDH1A1 (0.59) ALDH1A1ALOX15NPC1RAB9ATSHR
SCHEMBL151086 0.79 FFAR1 (0.49) ALDH1A1ALOX15NPC1RAB9AKDM4E
SCHEMBL101186 0.79 ALDH1A1 (0.50) ALDH1A1ALOX15NPC1RAB9ATSHR
SCHEMBL11418729 0.79 ALDH1A1 (0.39) ALDH1A1ALOX15NPC1RAB9ATSHR
SCHEMBL11594420 0.79 NPC1 (0.60) ALDH1A1ALOX15NPC1RAB9ATSHR
SCHEMBL11411301 0.79 ALDH1A1 (0.39) ALDH1A1ALOX15NPC1RAB9ATSHR
SCHEMBL2171273 0.79 NPC1 (0.60) ALDH1A1ALOX15NPC1RAB9ATSHR
SCHEMBL896901 0.79 NPC1 (0.41) ALDH1A1ALOX15NPC1RAB9ATSHR
SCHEMBL104615 0.79 ALDH1A1 (0.39) ALDH1A1ALOX15NPC1RAB9ATSHR
SCHEMBL302106 0.79 NPC1 (0.33) ALDH1A1ALOX15NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765160-B1 DEXANABINOL DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE PHARMACEUTICAL COMPOSITIONS UNIV RAMOT (IL) 2003-04-16 EP claimed
US-6096740-A BLOCK N-METHYL-ASPARTATE RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. (IL) 2000-08-01 US claimed
EP-0765160-A4 1997-04-09 EP claimed
EP-0765160-A1 DEXANABINOL DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE PHARMACEUTICAL COMPOSITIONS RAMOT UNIVERSITY, AUTHORITY FOR APPLIED RESEARCH & INDUSTRIAL DEVELOPMENT LTD. (IL) 1997-04-02 EP claimed
WO-1995020958-A1 DEXANABINOL DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE PHARMACEUTICAL COMPOSITIONS RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. (IL) 1995-08-10 WO claimed
EP-0085025-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1986-10-15 EP claimed
US-4416879-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-11-22 US claimed
EP-0085025-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1983-08-03 EP claimed
CN-117567411-A Polyimide dianhydride monomer capable of realizing bidirectional polymerization and synthesis method thereof 仪征市海帆化工有限公司 2024-02-20 CN disclosed
CN-111936550-B Decomposable polyethylene glycol derivative 日油株式会社 2023-11-28 CN disclosed
CN-114671637-A Preparation method of high-performance concrete containing coal gangue 中国矿业大学 2022-06-28 CN disclosed
CN-110975932-B Preparation method of photocatalytic carrier combining nanoscale inorganic catalyst powder and organic high-molecular polymer surface 浙江大学 2021-06-08 CN disclosed
CN-111936550-A Degradable polyethylene glycol derivative 日油株式会社 2020-11-13 CN disclosed
CN-110975932-A Preparation method of photocatalytic carrier combining nanoscale inorganic catalyst powder and organic high-molecular polymer surface 浙江大学 2020-04-10 CN disclosed
EP-0085025-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1983-08-03 EP disclosed
EP-0070803-A2 Antibiotically active aminotriazolylcephalosporin derivatives and their preparation CIBA-GEIGY AG (CH) 1983-01-26 EP disclosed
US-4196291-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-04-01 US disclosed
US-4141978-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-02-27 US disclosed
US-4113867-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-12 US disclosed
US-4001411-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-01-04 US disclosed