SCHEMBL8633672

SCHEMBL8633672

CCC(C)c1ccc(Oc2ccc(O)c(C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ESRRA P11474 1/20 0.42
TSHR P16473 1/20 0.41
AR P10275 5/20 0.39
XBP1 P17861 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38
RORC P51449 1/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKR1B10 O60218 1/20 0.37

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
SCHEMBL8636555 0.89 GAA (0.40) GAAALDH1A1HPGDUSP2PKM
SCHEMBL8636598 0.86 ESRRA (0.42) GAAESRRATSHRARXBP1
SCHEMBL9908613 0.84 GAA (0.57) GAAALDH1A1HPGDUSP2PKM
SCHEMBL16648399 0.80 ESRRA (0.49) ALDH1A1ESRRAAR
SCHEMBL8635710 0.80 LTA4H (0.54) ALDH1A1HPGDALOX15HSD17B10ESRRA
SCHEMBL8635200 0.80 ESRRA (0.46) ESRRAARKMT2A
SCHEMBL16683144 0.79 ALDH1A1 (0.41) GAAALDH1A1HPGDUSP2PKM
SCHEMBL8635276 0.79 ALDH1A1 (0.36) GAAALDH1A1TSHRARMAPT
SCHEMBL8635438 0.77 LTA4H (0.50) GAAALDH1A1ALOX15HSD17B10ESRRA
SCHEMBL8632738 0.77 LTA4H (0.57) ESRRAARMEN1KMT2A

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-0648729-B1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL CO (JP) 1998-07-15 EP disclosed
US-5698702-A INTERMEDIATES FOR INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-16 US disclosed
EP-0648729-A1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed