SCHEMBL8772073

SCHEMBL8772073

CC(=O)OC(CCCl)c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
ESR2 Q92731 3/20 0.40
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL8772066 0.87 UTS2R (0.47) UTS2R
SCHEMBL8772074 0.85 PABPC1 (0.51) PABPC1APOBEC3AAPOBEC3GCYP3A4UTS2R
SCHEMBL8772060 0.85 PABPC1 (0.51) PABPC1APOBEC3AAPOBEC3GCYP3A4UTS2R
SCHEMBL14028741 0.81 ESR1 (0.48) ESR1ESR2PABPC1APOBEC3AAPOBEC3G
SCHEMBL8772072 0.80 NPC1 (0.46) LMNACYP3A4MAPTCYP2C19ALDH1A1
SCHEMBL11108674 0.79 ESR1 (0.42) ESR1ESR2PABPC1APOBEC3AAPOBEC3G
SCHEMBL9155085 0.79 TAAR1 (0.46) ESR1ESR2PABPC1APOBEC3AAPOBEC3G
SCHEMBL27711499 0.78 FFAR1 (0.42) ESR1ESR2PABPC1APOBEC3AAPOBEC3G
SCHEMBL13921515 0.75 ESR1 (0.43) ESR1ESR2PABPC1APOBEC3AAPOBEC3G
SCHEMBL31599199 0.75 PABPC1 (0.38) PABPC1APOBEC3AAPOBEC3GSIGMAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529085-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-CHLORO-1-PHENYL-1-PROPANOL AND DERIVATIVE THEREOF DAICEL CHEM (JP) 1997-08-20 EP disclosed
US-5457052-A Treating a racemic mixture of the ester derivative of an unsaturated or saturated acid using a lipase from Pseudomonas or Aspergillus DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 US disclosed
EP-0529085-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-CHLORO-1-PHENYL-1-PROPANOL AND DERIVATIVE THEREOF DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed