SCHEMBL6963563

SCHEMBL6963563

CCCCC[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.41
KCNH2 Q12809 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
EPHX1 P07099 3/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
PCSK9 Q8NBP7 1/20 0.38
HPGD P15428 1/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL6960170 0.98 NAAA (0.43) NAAAKCNH2CES2CES1EPHX1
SCHEMBL273784 0.94 PCSK9 (0.39) NAAACES2CES1EPHX1EPHX2
SCHEMBL271913 0.85 ESR1 (0.37) NAAACES2CES1ALDH1A1HTT
SCHEMBL6965430 0.83 NAAA (0.41) NAAAKCNH2CES2CES1EPHX1
SCHEMBL8862115 0.82 DRD2 (0.36) NAAACES2CES1EPHX1EPHX2
SCHEMBL6972295 0.82 NAAA (0.43) NAAAKCNH2CES2CES1EPHX1
SCHEMBL28743025 0.82 NAAA (0.43) NAAAKCNH2CES2CES1EPHX1
SCHEMBL11780094 0.82 NAAA (0.43) NAAAKCNH2CES2CES1EPHX1
SCHEMBL11782714 0.80 NAAA (0.42) NAAAKCNH2CES2CES1EPHX1
SCHEMBL11781706 0.80 NAAA (0.42) NAAAKCNH2CES2CES1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed