SCHEMBL20121310

SCHEMBL20121310

CCCc1ccc(C)c(Cl)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ KCNH2 Q12809 1/20 0.32
▸ PRKCI P41743 1/20 0.30
▸ CTRC Q99895 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
SCHEMBL21574393 0.90 P2RX7 (0.31) —
SCHEMBL21115687 0.84 P2RX7 (0.32) —
SCHEMBL20121314 0.84 KCNH2 (0.32) CTSLCTSSCTSKKCNH2PRKCI
SCHEMBL24610617 0.83 CTRC (0.36) CTRC
SCHEMBL17369451 0.82 P2RX7 (0.36) CTSLCTSSCTSKKCNH2PRKCI
SCHEMBL12844610 0.81 CTSL (0.40) CTSLCTSSCTSKPRKCI
SCHEMBL13235163 0.80 NOTUM (0.34) CTSLCTSSCTSKKCNH2PRKCI
SCHEMBL20121312 0.79 HTR2A (0.30) —
SCHEMBL27360061 0.79 CTSL (0.36) CTSLCTSSCTSKPRKCI
SCHEMBL17719287 0.78 CTSL (0.45) CTSLCTSSCTSKKCNH2PRKCI

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
US-9963637-B2 Liquid crystal medium MERCK PATENT GMBH (DE) 2018-05-08 — — US disclosed
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