SCHEMBL8566732

SCHEMBL8566732

COc1ccc(CCC(=O)N(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.66
F2RL1 P55085 1/20 0.64
ALDH1A1 P00352 2/20 0.55
FFAR1 O14842 2/20 0.55
POLB P06746 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SLC5A1 P13866 1/20 0.54
SLC5A2 P31639 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
AOC3 Q16853 1/20 0.51
FKBP1A P62942 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 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
SCHEMBL31329297 0.90 ALOX5 (0.82) ALOX5F2RL1ALDH1A1POLBKMT2A
SCHEMBL3988521 0.86 ALOX5 (0.62) ALOX5F2RL1ALDH1A1FFAR1POLB
SCHEMBL25767343 0.86 ALOX5 (0.62) ALOX5F2RL1ALDH1A1FFAR1POLB
SCHEMBL755827 0.81 HTT (0.59) ALOX5ALDH1A1POLBSMN1; SMN2HTT
SCHEMBL7329940 0.81 F2RL1 (0.85) ALOX5F2RL1ALDH1A1FFAR1POLB
SCHEMBL17230518 0.80 ALOX5 (0.59) ALOX5F2RL1ALDH1A1FFAR1POLB
SCHEMBL22504109 0.80 FFAR1 (0.46) ALOX5FFAR1POLB
SCHEMBL7442885 0.80 KMT2A (0.77) ALOX5F2RL1ALDH1A1POLBNPC1
SCHEMBL31169772 0.80 KMT2A (0.55) ALOX5F2RL1ALDH1A1FFAR1POLB
SCHEMBL17230519 0.80 ALOX5 (0.55) ALOX5F2RL1ALDH1A1FFAR1POLB

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
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
CN-119331033-A Catalyst CudppfBH4And its use in catalyzing the reduction of alpha, beta-unsaturated amides 安徽大学 2025-01-21 CN disclosed
WO-2008024337-A2 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY, INC. (US) 2008-02-28 WO disclosed