SCHEMBL9259727

SCHEMBL9259727

C=CCC(c1ccc(O)cc1)S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.42
CA1 P00915 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
ESR1 P03372 1/20 0.38
TAAR1 Q96RJ0 2/20 0.36
HTR3A P46098 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HIF1A Q16665 1/20 0.36
SRC P12931 1/20 0.36
CA7 P43166 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 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
SCHEMBL7580947 0.82 CYP2C19 (0.49) CA2CA1CA12CA9CA7
SCHEMBL2150854 0.71 ESR1 (0.44) ESR1TAAR1HTR3ATSHRNFKB1
SCHEMBL1052289 0.71 CYP2C19 (0.42) CA2CA1CA12CA9ESR1
SCHEMBL10457217 0.70 TAAR1 (0.54) ESR1TAAR1HTR3ATSHRNFKB1
SCHEMBL7134567 0.69 CYP2C19 (0.38) ESR1TAAR1HTR3ATSHRNFKB1
SCHEMBL11825005 0.69 GABBR2 (0.42) NFKB1LMNAMEN1KMT2ACYP2C19
SCHEMBL9617749 0.68 ESR1 (0.39) ESR1TAAR1HTR3ATSHRNFKB1
SCHEMBL11463951 0.68 ESR1 (0.53) ESR1TAAR1HTR3ATSHRNFKB1
SCHEMBL300321 0.68 ESR1 (0.39) ESR1TAAR1HTR3ATSHRNFKB1
SCHEMBL11077670 0.68 CYP2C19 (0.73) CA2ESR1SRCLMNAALDH1A1

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
EP-0479332-B1 Diphenyl-methane derivative, pharmaceutical composition and use EISAI CO LTD (JP) 1995-06-21 EP disclosed
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-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