SCHEMBL15630537

SCHEMBL15630537

CN(Cc1ccc(F)cc1)c1ncc(C(=O)O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 12/20 0.51
▸ PPARA Q07869 2/20 0.47
▸ NR1H4 Q96RI1 2/20 0.46
▸ KDM2B Q8NHM5 1/20 0.44
▸ CXCR1 P25024 2/20 0.43
▸ CXCR2 P25025 2/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL2129213 0.80 NR1H4 (0.50) TRPM8NR1H4
SCHEMBL12991927 0.75 ALDH1A1 (0.52) TRPM8MEN1POLBKMT2A
SCHEMBL4014303 0.72 PTGER4 (0.63) —
SCHEMBL5507906 0.72 PTGER4 (0.63) —
SCHEMBL6387820 0.72 ALDH1A1 (0.44) TRPM8MEN1POLBKMT2A
SCHEMBL119422 0.71 TRPM8 (0.82) TRPM8
SCHEMBL2902263 0.70 PPARA (0.39) TRPM8PPARAKDM2BCXCR1CXCR2
SCHEMBL2131238 0.70 CSF1R (0.43) NR1H4MEN1POLBKMT2A
SCHEMBL2129436 0.70 CSF1R (0.43) NR1H4MEN1POLBKMT2A
SCHEMBL11564854 0.70 TRPM8 (0.44) TRPM8NR1H4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9946847-B2 Libraries of compounds having desired properties and methods for making and using them BIOBLOCKS INC. (US) 2018-04-17 — — US disclosed
US-9946847-B2 Libraries of compounds having desired properties and methods for making and using them BIOBLOCKS INC. (US) 2018-04-17 — — US disclosed
US-20150269356-A1 LIBRARIES OF COMPOUNDS HAVING DESIRED PROPERTIES AND METHODS FOR MAKING AND USING THEM BIOBLOCKS INC (US) 2015-09-24 — — US disclosed
US-20150269356-A1 LIBRARIES OF COMPOUNDS HAVING DESIRED PROPERTIES AND METHODS FOR MAKING AND USING THEM BIOBLOCKS INC (US) 2015-09-24 — — US disclosed
WO-2014047463-A2 LIBRARIES OF COMPOUNDS HAVING DESIRED PROPERTIES AND METHODS FOR MAKING AND USING THEM BIOBLOCKS, INC. (US) 2014-03-27 — — WO disclosed
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