SCHEMBL22994657

SCHEMBL22994657

COCCN1C[C@@H](C)C[C@H]1COCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GBA1 P04062 2/20 0.36
UGCG Q16739 2/20 0.36
GBA2 Q9HCG7 2/20 0.36
TSHR P16473 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
LTA4H P09960 1/20 0.35
NAAA Q02083 1/20 0.34

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
SCHEMBL19637285 1.00 CTSL (0.40) CTSLCTSBCTSKL3MBTL1TAAR1
SCHEMBL19617897 0.78 TRPV6 (0.55) CTSLCTSBCTSK
SCHEMBL19616936 0.78 TRPV6 (0.55) CTSLCTSBCTSK
SCHEMBL5209947 0.77 TSHR (0.50) CTSLCTSBCTSKL3MBTL1TAAR1
SCHEMBL20466290 0.74 SSTR4 (0.42) CTSLCTSBCTSKL3MBTL1GBA1
SCHEMBL13662029 0.72 TSHR (0.42) CTSLCTSBCTSKL3MBTL1TAAR1
SCHEMBL17243613 0.72 SSTR4 (0.50) CTSLCTSBCTSKGBA1UGCG
SCHEMBL13662039 0.71 CTSL (0.41) CTSLCTSBCTSKL3MBTL1TAAR1
SCHEMBL19637287 0.71 TSHR (0.40) CTSLCTSBCTSKL3MBTL1TAAR1
SCHEMBL24207209 0.71 TSHR (0.50) CTSLCTSBCTSKTAAR1TSHR

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-3458445-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2021-02-17 EP disclosed