SCHEMBL9717038

SCHEMBL9717038

Cc1ccc(C(=O)c2ccccc2O)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
CYP1A2 P05177 1/20 0.54
PGR P06401 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
AR P10275 1/20 0.54
CHRM1 P11229 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
TBXA2R P21731 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADRA1A P35348 1/20 0.54
HIF1A Q16665 1/20 0.54
RAB9A P51151 4/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
SPR P35270 1/20 0.53
GSTA1 P08263 2/20 0.50
LIG1 P18858 1/20 0.50

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
SCHEMBL2167285 0.89 LMNA (0.62) LMNACYP1A2PGRCYP3A4ADORA3
SCHEMBL14274483 0.87 NPC1 (0.54) RAB9AKMT2AALDH1A1NFE2L2NPC1
SCHEMBL11756227 0.87 MAPK13 (0.53) RAB9AKMT2AALDH1A1NFE2L2NPC1
SCHEMBL12909853 0.86 ALDH1A1 (0.51) LMNACYP1A2PGRCYP3A4ADORA3
SCHEMBL5962983 0.85 GSTA1 (0.62) LMNACYP1A2PGRCYP3A4ADORA3
SCHEMBL11057757 0.85 CSNK2A1 (0.60) CYP1A2HPGDALOX15CYP2C19RAB9A
SCHEMBL31369141 0.84 LMNA (0.50) LMNACYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL286054 0.84 LMNA (0.50) LMNACYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL3358950 0.83 SPR (0.56) LMNACYP1A2PGRCYP3A4ADORA3
SCHEMBL5709905 0.82 KMT2A (0.53) LMNAHPGDRAB9AHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0499450-A1 Synthesis of 1-aminoanthraquinone HOECHST CELANESE CORPORATION (US) 1992-08-19 EP disclosed
US-5130448-A Condensing ortho substituted benzoic acid and xylene, oxidation, ring closure, ammonolysis and decarboxyalation HOECHST CELANESE CORPORATION (US) 1992-07-14 US disclosed