SCHEMBL9749593

SCHEMBL9749593

O=C(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.62
CES2 O00748 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
TSHR P16473 1/20 0.60
CASP1 P29466 1/20 0.60
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 1/20 0.55
SRD5A2 P31213 1/20 0.53
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
GLA P06280 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL4076070 0.89 CES2 (0.64) CES1CES2SMN1; SMN2TSHRCASP1
SCHEMBL8065539 0.86 SMN1; SMN2 (0.71) CES1CES2SMN1; SMN2TSHRCASP1
SCHEMBL29367820 0.84 SMN1; SMN2 (0.55) CES1CES2SMN1; SMN2TSHRCASP1
SCHEMBL10631974 0.84 SMN1; SMN2 (0.55) CES1CES2SMN1; SMN2TSHRCASP1
SCHEMBL2358618 0.84 SMN1; SMN2 (0.55) CES1CES2SMN1; SMN2TSHRCASP1
SCHEMBL522683 0.83 SRD5A2 (0.74) SMN1; SMN2TSHRCASP1RAB9ANPC1
SCHEMBL29350361 0.83 SRD5A2 (0.74) SMN1; SMN2TSHRCASP1RAB9ANPC1
SCHEMBL11764098 0.82 CES2 (0.58) CES1CES2SMN1; SMN2TSHRCASP1
SCHEMBL9648043 0.82 CES2 (0.67) CES1CES2SMN1; SMN2TSHRCASP1
SCHEMBL5184941 0.82 SMN1; SMN2 (0.65) CES1CES2SMN1; SMN2TSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248954-B1 PROCESS FOR REDUCING THE AMOUNT OF DDT-RELATED IMPURITIES IN 1,1-BIS(CHLOROPHENYL)-2,2,2-TRICHLORO-ETHANOL ROHM AND HAAS COMPANY (US) 1992-04-01 EP disclosed
EP-0460977-A1 Process for reducing the amount of DDT-related impurities in 1,1-bis (chlorophenyl)-2,2,2-trichloroethanol ROHM AND HAAS COMPANY (US) 1991-12-11 EP disclosed
US-4586996-A Surface hardner for nylon lens TOYO BOSEKI KABUSHIKI KAISHA (JP) 1986-05-06 US disclosed
US-4009022-A Selective antagonists for triazine herbicides ROHM AND HAAS COMPANY (US) 1977-02-22 US disclosed