SCHEMBL8444491

SCHEMBL8444491

O=C(O)c1cc(C(=O)O)cc(-c2c(C(F)F)oc3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.44
TTR P02766 4/20 0.43
PTPN1 P18031 4/20 0.42
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
CSNK2A2 P19784 1/20 0.40
PTGS1 P23219 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
DHODH Q02127 2/20 0.38
NQO1 P15559 1/20 0.38
PTGER4 P35408 1/20 0.38
MAPT P10636 1/20 0.37
EYA3 Q99504 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL8444010 0.91 TNKS (0.45) TNKSTTRPTPN1KDM4EMAPT
SCHEMBL8441434 0.82 TTR (0.48) TNKSTTRPTPN1KDM4EUSP2
SCHEMBL8442828 0.77 TNKS (0.46) TNKSKDM4EMAPTCA1CA2
SCHEMBL29644549 0.73 DHODH (0.53) KDM4EDHODHMAPT
SCHEMBL10009333 0.73 DHODH (0.53) KDM4EDHODHMAPT
SCHEMBL8440006 0.73 ALDH1A1 (0.41) TNKSKDM4E
SCHEMBL8441247 0.69 FABP4 (0.38) TTRPTPN1KDM4EDHODH
SCHEMBL29018195 0.68 CA1 (0.46) TNKSPTPN1KDM4EPTGS1MAPT
SCHEMBL8442687 0.68 CYP2C19 (0.50) TNKSTTRPTPN1KDM4EMAPT
SCHEMBL11637449 0.68 KMO (0.50) TNKSTTRPTPN1KDM4EUSP2

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
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
US-5951913-A Liquid crystal compositions comprising silacyclohexane compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-09-14 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed