SCHEMBL9549317

SCHEMBL9549317

CCOC(=O)CCC(C#N)=C(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
ESR2 Q92731 2/20 0.49
ESRRB O95718 1/20 0.45
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
KDR P35968 1/20 0.40
MIF P14174 1/20 0.39
CYP4F2 P78329 2/20 0.39

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
SCHEMBL9549358 0.86 L3MBTL1 (0.48) KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL9177039 0.86 MAPT (0.46) KMT2AL3MBTL1SMN1; SMN2ALDH1A1TSHR
SCHEMBL10394315 0.82 MAOB (0.47) L3MBTL1ALDH1A1MAPTCYP1A2MAPK1
SCHEMBL9549069 0.80 CYP19A1 (0.47) ESR1CA12CA1CA2CA7
SCHEMBL9549032 0.80 CYP19A1 (0.50) ESR1ALDH1A1MAPT
SCHEMBL9549035 0.80 CYP19A1 (0.50) ESR1ALDH1A1MAPT
SCHEMBL9549039 0.80 CYP19A1 (0.50) ESR1ALDH1A1MAPT
SCHEMBL4534180 0.77 CYP19A1 (0.53) ESR1ESR2ESRRBKMT2ASMN1; SMN2
SCHEMBL1374042 0.77 HSD17B3 (0.61) ESR1CA12CA1CA2CA7
SCHEMBL9549159 0.76 PDE4B (0.49) ESR1CA1CA2ESR2ESRRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5206403-A Diphenylethylene derivatives, pharmaceutical compositions containing same and treatment methods EISAI CO., LTD. (JP) 1993-04-27 US disclosed
US-5182301-A Anticoagulants EISAI CO., LTD. (JP) 1993-01-26 US disclosed
EP-0238973-B1 DIPHENYL-METHANE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE Eisai Co., Ltd. (JP) 1992-12-02 EP disclosed
EP-0479332-A2 Diphenyl-methane derivative, pharmaceutical composition and use Eisai Co., Ltd. (JP) 1992-04-08 EP disclosed
US-5103010-A DIPHENYLETHYLENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND TREATMENT METHOD EISAI CO., LTD. (JP) 1992-04-07 US disclosed
EP-0478001-A1 Benzophenone oxime derivatives, pharmaceutical compositions and use Eisai Co., Ltd. (JP) 1992-04-01 EP disclosed
US-5064848-A Anticoagulants EISAI CO., LTD. (JP) 1991-11-12 US disclosed
US-5034418-A Anticoagulants EISAI CO., LTD. (JP) 1991-07-23 US disclosed
US-4978767-A ANTICOAGULANTS EISAI CO., LTD. (JP) 1990-12-18 US disclosed
US-4954523-A ANTICOAGULANT EISAI CO., LTD. (JP) 1990-09-04 US disclosed
US-4886834-A ANTICOAGULANTS EISAI CO., LTD. (JP) 1989-12-12 US disclosed
EP-0238973-A2 Diphenyl-methane derivative, pharmaceutical composition and use Eisai Co., Ltd. (JP) 1987-09-30 EP disclosed