SCHEMBL28401935

SCHEMBL28401935

Cc1cccc(NC(=O)[C@@H]2C[C@H]2C(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.57
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ HSD17B10 Q99714 1/20 0.51
▸ TP53 P04637 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ RECQL P46063 1/20 0.46

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
SCHEMBL15133466 0.87 TRPM8 (0.62) NPSR1NPC1RAB9AHSD17B10TP53
SCHEMBL23995448 0.83 MAPT (0.54) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL10192117 0.75 NPSR1 (0.88) NPSR1NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL18155181 0.75 NPSR1 (0.51) NPSR1NPC1RAB9AHSD17B10TP53
SCHEMBL14769622 0.75 NPSR1 (0.51) NPSR1NPC1RAB9AHSD17B10TP53
SCHEMBL27564552 0.74 GRK2 (0.71) NPSR1NPC1RAB9ATP53POLB
SCHEMBL12172851 0.74 NPSR1 (0.57) NPSR1NPC1RAB9AHSD17B10TP53
SCHEMBL2628762 0.74 TRPM8 (0.62) NPSR1RAB9AHSD17B10POLBALDH1A1
SCHEMBL24283827 0.73 NPSR1 (0.68) NPSR1NPC1RAB9AHSD17B10TP53
SCHEMBL2628752 0.73 TRPM8 (0.61) NPC1ALDH1A1EPHX2MEN1KMT2A

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
CN-106458861-B Cyclopropanecarboxamides having cooling properties 宝洁公司 2020-05-19 — — CN disclosed
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