SCHEMBL8772582

SCHEMBL8772582

O=[C]c1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.59
MAPK1 P28482 1/20 0.59
HPGD P15428 1/20 0.52
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
NR4A1 P22736 1/20 0.46
ELANE P08246 1/20 0.44
GSK3B P49841 2/20 0.43
FABP2 P12104 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL11238566 0.89 SRD5A2 (0.50) SRD5A2MAPK1HPGDCA1CA2
SCHEMBL1918 0.83
SCHEMBL10697158 0.83 SRD5A2 (0.80) SRD5A2MAPK1HPGDCES2CES1
SCHEMBL1681512 0.83 SRD5A2 (0.80) SRD5A2MAPK1HPGDCES2CES1
SCHEMBL9065412 0.83 SRD5A2 (0.80) SRD5A2MAPK1HPGDCES2CES1
SCHEMBL51827 0.83 SRD5A2 (0.80) SRD5A2MAPK1HPGDCES2CES1
SCHEMBL29985694 0.81 SRD5A2 (0.76) SRD5A2MAPK1HPGDCES2CES1
Hydrochloric Acid SCHEMBL11704986 0.81 SRD5A2 (0.76) SRD5A2MAPK1HPGDCES2CES1
SCHEMBL30010720 0.81 SRD5A2 (0.76) SRD5A2MAPK1HPGDCES2CES1
SCHEMBL9694596 0.81 TSHR (0.59) SRD5A2MAPK1HPGDCES2CES1

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
EP-0639559-B1 Preparation of 1,2-diacyl-2-(t-alkyl)hydrazines ROHM & HAAS (US) 1997-10-15 EP claimed