SCHEMBL8562791

SCHEMBL8562791

COCn1c(C(F)(F)F)nc2c(C(=O)O)cccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3C2B O00750 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
PPARG P37231 1/20 0.41
CYP2C9 P11712 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 1/20 0.39
APEX1 P27695 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
LMNA P02545 3/20 0.39
DCTPP1 Q9H773 1/20 0.38
MAPT P10636 2/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL8600239 0.86 TSHR (0.41) KDM4EHPGDCYP2C9CYP1A2CYP2C19
SCHEMBL8598178 0.84 CYP2C9 (0.47) PIK3C2BKDM4EHPGDPPARGCYP2C9
SCHEMBL8601846 0.82 PPARG (0.48) PIK3C2BKDM4EHPGDPPARGALDH1A1
SCHEMBL8599284 0.79 KDM4E (0.44) PIK3C2BKDM4ECYP2C9CYP1A2CYP2C19
SCHEMBL8597750 0.78 DCTPP1 (0.48) PIK3C2BKDM4EHPGDPPARGCYP2C9
SCHEMBL8600004 0.76 PIK3C2B (0.45) PIK3C2BKDM4EHPGDPPARGCYP2C9
SCHEMBL8597372 0.74 PTGES (0.45) BRD4CREBBP
SCHEMBL8602363 0.74 PIK3C2B (0.52) PIK3C2BKDM4ECYP2C9CYP1A2CYP2C19
Trifluoroacetic Acid SCHEMBL8603670 0.71 ALDH1A1 (0.43) KDM4EHPGDCYP2C9CYP1A2CYP2C19
SCHEMBL8600049 0.69 KDM4E (0.51) KDM4EHPGDPPARGALDH1A1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed