SCHEMBL8772074

SCHEMBL8772074

CC(=O)OC(CCCl)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
UTS2R Q9UKP6 2/20 0.39
MMP12 P39900 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL8772060 1.00 PABPC1 (0.51) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL5326130 0.86 PABPC1 (0.54) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL13608413 0.86 PABPC1 (0.54) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL8772066 0.85 UTS2R (0.47) UTS2R
SCHEMBL8772073 0.85 ESR1 (0.40) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL29377527 0.84 PABPC1 (0.52) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL7947907 0.84 PABPC1 (0.52) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL29265547 0.84 PABPC1 (0.52) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL10615626 0.83 ALDH1A1 (0.51) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL8475586 0.83 PABPC1 (0.51) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4

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