SCHEMBL5666431

SCHEMBL5666431

CSCC[C@H](Nc1ccccc1Cl)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.59
▸ PKM P14618 2/20 0.59
▸ RAB9A P51151 1/20 0.50
▸ KEAP1 Q14145 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45
▸ KCNQ2 O43526 1/20 0.45
▸ LTA4H P09960 1/20 0.44

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
SCHEMBL2327597 0.84 KEAP1 (0.50) LMNAPKMKEAP1ALDH1A1GAA
SCHEMBL11610956 0.84 LMNA (0.58) LMNAPKMRAB9ATSHRSMN1; SMN2
SCHEMBL5057496 0.81 FOLH1 (0.50) LMNAPKMKEAP1ALDH1A1MAPT
SCHEMBL3955074 0.80 GAA (0.55) LMNAPKMKEAP1ALDH1A1GAA
SCHEMBL4740890 0.80 GAA (0.55) LMNAPKMKEAP1ALDH1A1GAA
Fluoride SCHEMBL28465175 0.79 GAA (0.53) LMNAPKMKEAP1ALDH1A1GAA
SCHEMBL2327298 0.78 KMT2A (0.60) LMNAPKMALDH1A1TSHRKMT2A
SCHEMBL2327300 0.78 KMT2A (0.60) LMNAPKMALDH1A1TSHRKMT2A
SCHEMBL11613363 0.77 NPSR1 (0.58) LMNAPKMRAB9AMAPTSMN1; SMN2
SCHEMBL27968741 0.75 MAPT (0.49) LMNAPKMRAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443919-A4 DUAL INHIBITORS OF ADIPOCYTE FATTY ACID BINDING PROTEIN AND KERATINOCYTE FATTY ACID BINDING PROTEIN BRISTOL MYERS SQUIBB CO (US) 2006-03-22 — — EP disclosed
EP-1443919-A1 DUAL INHIBITORS OF ADIPOCYTE FATTY ACID BINDING PROTEIN AND KERATINOCYTE FATTY ACID BINDING PROTEIN Bristol-Myers Squibb Company (US) 2004-08-11 — — EP disclosed
WO-2003043624-A1 DUAL INHIBITORS OF ADIPOCYTE FATTY ACID BINDING PROTEIN AND KERATINOCYTE FATTY ACID BINDING PROTEIN BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-30 — — WO disclosed
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