SCHEMBL97558

SCHEMBL97558

CC([C]=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.52
SIGMAR1 Q99720 4/20 0.52
SLC6A2 P23975 2/20 0.52
MAOA P21397 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
CYP2D6 P10635 2/20 0.48
SLC18A2 Q05940 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TRPA1 O75762 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.44

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
SCHEMBL834993 1.00 TAAR1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL11504701 0.88 ACACB (0.48)
SCHEMBL6387963 0.79 SIGMAR1 (0.54) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL11200321 0.78 ACACB (0.45) TAAR1SIGMAR1MEN1KMT2ANPC1
SCHEMBL9528157 0.78 SLC6A2 (0.55) TAAR1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL7290305 0.78 TSHR (0.49) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL2748352 0.77 MAOB (0.56) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL8675172 0.77 SIGMAR1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL1752148 0.77 SIGMAR1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL13593628 0.77 SIGMAR1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101493533-B Reflection-type anti-dazzle Polaroid, special coating thereof and making method thereof GUANGDONG DONGBANG TECHNOLOGY CO LTD 2011-03-30 CN claimed
CN-101493533-A Reflection-type anti-dazzle Polaroid, special coating thereof and making method thereof GUANGDONG DONGBANG TECHNOLOGY (CN) 2009-07-29 CN claimed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US claimed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP claimed
US-5817757-A AUTOIMMUNE DISORDERS, OLIGOPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1998-10-06 US claimed
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US claimed
EP-0076996-B1 CARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1986-01-02 EP claimed
WO-2023190111-A1 RAFT POLYMERIZATION REACTION SOLUTION AND RAFT POLYMERIZATION REACTION SOLUTION PRODUCTION METHOD テクノUMG株式会社 2023-10-05 WO disclosed
CN-113939544-B non-core-shell polymer particles 悉尼大学 2023-08-22 CN disclosed
CN-110382561-B Sealing composition 味之素株式会社 2023-01-31 CN disclosed
CN-111757910-B Sealing resin composition 味之素株式会社 2022-06-24 CN disclosed
CN-111615453-B Functional member 株式会社木本 2022-05-10 CN disclosed
CN-113939544-A Non-core-shell polymer particles 悉尼大学 2022-01-14 CN disclosed
EP-0076996-A1 Carboxylic-acid derivatives, process for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1983-04-20 EP disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
EP-0021883-A2 N-acyl-amino acid derivatives and pharmaceutical compositions containing them, intermediates and starting compounds MERRELL TORAUDE ET COMPAGNIE (FR) 1981-01-07 EP disclosed
US-4223137-A DILATION, HYPOTENSIVES, ANTIHISTAMINES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-09-16 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed