SCHEMBL5801662

SCHEMBL5801662

NC(=O)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.71
▸ MMP12 P39900 5/20 0.62
▸ NAAA Q02083 1/20 0.56
▸ FFAR4 Q5NUL3 1/20 0.54
▸ PRMT1 Q99873 1/20 0.54
▸ ABCC4 O15439 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ HDAC2 Q92769 2/20 0.53
▸ KEAP1 Q14145 1/20 0.52
▸ MMP13 P45452 4/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ CES1 P23141 2/20 0.51
▸ MMP2 P08253 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP14 P50281 1/20 0.50
▸ CNR2 P34972 1/20 0.50

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
SCHEMBL11262500 0.90 FFAR1 (0.63) FFAR1MMP12NAAAABCC4LMNA
SCHEMBL27396759 0.89 HDAC2 (0.68) FFAR1MMP12ABCC4LMNAGAA
SCHEMBL5020712 0.88 FFAR1 (0.69) FFAR1PRMT1HTTHDAC2KEAP1
SCHEMBL2593 0.87 KEAP1 (0.67) FFAR1PRMT1LMNAHTTHDAC2
SCHEMBL19544342 0.86 FFAR1 (0.54) FFAR1MMP12CES1
Ammonia Solution, Strong SCHEMBL10416110 0.85 KEAP1 (0.64) FFAR1PRMT1LMNAHTTHDAC2
Hydrochloric Acid SCHEMBL3308277 0.85 KEAP1 (0.64) FFAR1PRMT1LMNAHTTHDAC2
Hydrazine SCHEMBL28262207 0.85 KEAP1 (0.64) FFAR1PRMT1LMNAHTTHDAC2
Hydrochloric Acid SCHEMBL6952080 0.85 KEAP1 (0.64) FFAR1PRMT1LMNAHTTHDAC2
Bicarbonate SCHEMBL28311766 0.85 KEAP1 (0.64) FFAR1PRMT1LMNAHTTHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102507-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-08 — — WO disclosed
WO-2006094800-A2 CASCADE REACTION PROCESS SYNTHON B.V. (NL) 2006-09-14 — — WO disclosed
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