SCHEMBL8979406

SCHEMBL8979406

Cc1ccc(S(=O)(=O)O[C@H](C)COc2c(N)ccc(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA7 P43166 3/20 0.32
CA9 Q16790 3/20 0.32
CA4 P22748 2/20 0.32
GBA1 P04062 1/20 0.32
P2RY12 Q9H244 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 3/20 0.31
CA12 O43570 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA5B Q9Y2D0 2/20 0.30
CA3 P07451 1/20 0.30
CYP2C19 P33261 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL8979377 1.00 PTGS2 (0.36) PTGS2PTGS1CA1CA2CA7
SCHEMBL8979366 0.84 KMT2A (0.40) PTGS2PTGS1CA9LMNAKMT2A
SCHEMBL8979391 0.84 KMT2A (0.40) PTGS2PTGS1CA9LMNAKMT2A
SCHEMBL8979389 0.84 KMT2A (0.40) PTGS2PTGS1CA9LMNAKMT2A
SCHEMBL10433859 0.82 LMNA (0.30) LMNA
SCHEMBL10433858 0.82 LMNA (0.30) LMNA
SCHEMBL27881218 0.76 SCN4A (0.47) GBA1LMNACYP1A2KMT2ADHODH
SCHEMBL9664247 0.75 MAPT (0.46) CA1CA2CA7CA9CA4
SCHEMBL8979387 0.74 DHODH (0.43) LMNACYP1A2KMT2AALDH1A1CYP2C19
SCHEMBL29137878 0.72 CDK1 (0.37) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322815-B1 Propoxybenzene derivatives and process for preparing the same DAIICHI SEIYAKU CO (JP) 1996-05-15 EP disclosed
US-5312999-A Propoxybenzene derivatives and process for preparing the same DAIICHI SEIYAKU CO., LTD. (JP) 1994-05-17 US disclosed
US-5136059-A PROPOXYBENZENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-04 US disclosed
EP-0322815-A2 Propoxybenzene derivatives and process for preparing the same DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed