SCHEMBL9460232

SCHEMBL9460232

C[N+](C)(C)c1ccccc1.C[N+](C)(C)c1ccccc1.O=C(O)c1ccc(Sc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
ALDH1A1 P00352 2/20 0.55
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
TSHR P16473 2/20 0.45
DAO P14920 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
PKM P14618 1/20 0.44
SRD5A2 P31213 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9460527 1.00 HPGD (0.55) HPGDALDH1A1APOBEC3AAPOBEC3GLMNA
SCHEMBL9132246 0.92 HPGD (0.47) HPGDALDH1A1APOBEC3AAPOBEC3GLMNA
SCHEMBL9136912 0.92 HPGD (0.47) HPGDALDH1A1APOBEC3AAPOBEC3GLMNA
SCHEMBL9136915 0.89 APOBEC3A (0.48) HPGDALDH1A1APOBEC3AAPOBEC3GTSHR
SCHEMBL9132253 0.89 APOBEC3A (0.48) HPGDALDH1A1APOBEC3AAPOBEC3GTSHR
Terephthalic Acid SCHEMBL11375372 0.89 APOBEC3A (0.61) HPGDALDH1A1APOBEC3AAPOBEC3GTSHR
Terephthalic Acid SCHEMBL11371951 0.89 APOBEC3A (0.61) HPGDALDH1A1APOBEC3AAPOBEC3GTSHR
Tetramethylammonium Ion SCHEMBL9459712 0.85 HPGD (0.58) HPGDALDH1A1LMNAL3MBTL1RXRA
SCHEMBL689927 0.82 HPGD (0.69) HPGDALDH1A1LMNAL3MBTL1RXRA
SCHEMBL701728 0.80 TSHR (0.60) HPGDALDH1A1APOBEC3AAPOBEC3GTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5274184-A Aryl sulphide, aryl sulphoxide and aryl sulphone compounds CASSELLA AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed