SCHEMBL28048633

SCHEMBL28048633

CCC(=O)c1ccc(OC(C)C)c(CN)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
PDE4B Q07343 1/20 0.41
MAPT P10636 2/20 0.41
CSNK2A1 P68400 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
HPGD P15428 3/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL27945951 0.86 POLB (0.51) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL28048643 0.86 POLB (0.46) ALDH1A1TSHRPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL27933632 0.85 POLB (0.53) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL28162947 0.80 PDE4B (0.47) ALDH1A1TSHRMEN1KMT2APPARA
SCHEMBL28013053 0.79 MEN1 (0.43) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL25139472 0.79 KCNQ3 (0.50) ALDH1A1TSHRMEN1KMT2APDE4B
SCHEMBL661011 0.79 PDE4B (0.62) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL25139577 0.79 MEN1 (0.62) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL27553770 0.78 MEN1 (0.48) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL27319416 0.77 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814024-B Aromatic compounds and application thereof 住友化学株式会社 2018-04-17 CN disclosed
CN-105263921-B Terazololine-one compound and its application 住友化学株式会社 2017-07-21 CN disclosed
CN-106660991-A Antiproliferative compounds and methods of use thereof 细胞基因公司 2017-05-10 CN disclosed
CN-105814024-A Aromatic compound and application for same 住友化学株式会社 2016-07-27 CN disclosed
CN-105263921-A Tetrazolinone compound and application of same SUMITOMO CHEMICAL CO 2016-01-20 CN disclosed