SCHEMBL8669701

SCHEMBL8669701

C=CCC(C(=O)OCC)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.65
MMP8 P22894 1/20 0.49
GAA P10253 1/20 0.48
PIN1 Q13526 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
OPRD1 P41143 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MDM4 O15151 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MDM2 Q00987 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL23688603 1.00 CYP2C19 (0.65) CYP2C19MMP8GAAPIN1MEN1
SCHEMBL23688606 1.00 CYP2C19 (0.65) CYP2C19MMP8GAAPIN1MEN1
SCHEMBL5780313 0.85 MMP8 (0.50) CYP2C19MMP8GAAPIN1MEN1
SCHEMBL5936713 0.85 MMP8 (0.50) CYP2C19MMP8GAAPIN1MEN1
SCHEMBL9114061 0.85 CYP2C19 (0.67) CYP2C19MEN1KMT2ASMN1; SMN2OPRD1
SCHEMBL4007320 0.85 CYP2C19 (0.46) CYP2C19MMP8GAASMN1; SMN2KDM4E
SCHEMBL20128211 0.84 CYP2C19 (0.45) CYP2C19GAAKMT2ASMN1; SMN2LMNA
SCHEMBL10473835 0.83 CYP2C19 (0.44) CYP2C19GAAMEN1KMT2ANPC1
SCHEMBL5371218 0.83 CYP2C19 (0.79) CYP2C19GAAMEN1KMT2ASMN1; SMN2
SCHEMBL29623844 0.82 CYP2C19 (0.46) CYP2C19MMP8GAAPIN1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0622451-B1 Perfumed hypochlorite bleaching compositions PROCTER & GAMBLE (US) 1998-12-02 EP claimed
WO-2017147410-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2017-08-31 WO disclosed
EP-0622451-B1 Perfumed hypochlorite bleaching compositions PROCTER & GAMBLE (US) 1998-12-02 EP disclosed
EP-0867503-A2 Perfumed hypochlorite bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1998-09-30 EP disclosed
EP-0622451-A1 Perfumed hypochlorite bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1994-11-02 EP disclosed
EP-0068331-B1 TETRAHYDROFURAN COMPOUNDS AND ANALOGS THEREOF Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-01-15 EP disclosed
US-4531008-A Insecticide, miticide SUMITOMO CHEMICAL CO., LTD. (JP) 1985-07-23 US disclosed
US-4414216-A NEUROLEPTICS YOSHITOMI PHAMACEUTICAL INDUSTRIES, LTD. (JP) 1983-11-08 US disclosed
EP-0068331-A1 Tetrahydrofuran compounds and analogs thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1983-01-05 EP disclosed
US-4266074-A SUBSTITUTED PHENYL BUTENYL ACETATES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1981-05-05 US disclosed
US-4062968-A MITICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-12-13 US disclosed
US-4058622-A Substituted phenyl acetate, insecticidal composition and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-11-15 US disclosed
US-4039680-A SULFUR CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-02 US disclosed
US-4031235-A Insecticidal substituted acetate compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-06-21 US disclosed
US-3996244-A Insecticidal esters of substituted furan methanol SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-12-07 US disclosed