SCHEMBL29137641

SCHEMBL29137641

COc1ccc(CC(C)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
CTSL P07711 2/20 0.61
CTSS P25774 2/20 0.61
CTSK P43235 2/20 0.61
HDAC8 Q9BY41 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
ACHE P22303 1/20 0.56
CTRB1 P17538 2/20 0.54
ACACB O00763 1/20 0.54
CTSD P07339 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
F2 P00734 1/20 0.53
ALDH1A1 P00352 3/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
ALOX15 P16050 1/20 0.53
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL14370505 1.00 ATM (0.65) ATMCTSLCTSSCTSKHDAC8
SCHEMBL13534727 0.90 NPC1 (0.65) ATMCTSLCTSSCTSKCTRB1
SCHEMBL4033719 0.90 NPC1 (0.65) ATMCTSLCTSSCTSKCTRB1
SCHEMBL9707035 0.88 CTRB1 (0.58) ATMCTSLCTSSCTSKCTRB1
SCHEMBL9782114 0.88 CTRB1 (0.58) ATMCTSLCTSSCTSKCTRB1
SCHEMBL14370508 0.87 ATM (0.65) ATMCTSLCTSSCTSKHDAC8
SCHEMBL13884452 0.86 CTRB1 (0.57) ATMCTSLCTSSCTSKCTRB1
SCHEMBL14884509 0.86 CTRB1 (0.57) ATMCTSLCTSSCTSKCTRB1
SCHEMBL9716778 0.86 ATM (0.67) ATMCTSLCTSSCTSKHDAC8
SCHEMBL2406036 0.86 ALDH1A1 (0.65) ATMCTSLCTSSCTSKHDAC8

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-117024315-A Preparation method of (R) -5- (2-aminopropyl) -2-methoxyl benzenesulfonamide 常州瑞明药业有限公司 2023-11-10 CN disclosed