SCHEMBL31682020

SCHEMBL31682020

CC(C)(C)OC(=O)CCCCCCCCCCCc1ccc(S(=O)(=O)Nc2ncc(C(=O)O)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 1/20 0.43
▸ TBXAS1 P24557 1/20 0.43
▸ HDAC1 Q13547 1/20 0.40
▸ AKT1 P31749 10/20 0.40
▸ IRS1 P35568 3/20 0.40
▸ GAB1 Q13480 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ GHSR Q92847 1/20 0.38
▸ CCR9 P51686 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL31681966 1.00 TBXA2R (0.43) TBXA2RTBXAS1HDAC1AKT1IRS1
SCHEMBL31682097 1.00 TBXA2R (0.43) TBXA2RTBXAS1HDAC1AKT1IRS1
SCHEMBL31682034 0.94 TDP1 (0.46) TBXA2RTBXAS1TDP1
SCHEMBL31682088 0.94 MCL1 (0.40) TBXA2RTBXAS1HDAC1TDP1
SCHEMBL31681983 0.89 BRD4 (0.47) TBXA2RTBXAS1HDAC1AKT1IRS1
SCHEMBL31682115 0.89 BRD4 (0.47) TBXA2RTBXAS1HDAC1AKT1IRS1
SCHEMBL31682085 0.89 BRD4 (0.47) TBXA2RTBXAS1HDAC1AKT1IRS1
SCHEMBL31682099 0.89 BRD4 (0.47) TBXA2RTBXAS1HDAC1AKT1IRS1
SCHEMBL31681995 0.88 NAMPT (0.40) TDP1
SCHEMBL31682048 0.88 NAMPT (0.40) TDP1

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
EP-3893934-B1 INSULIN CONJUGATES SANOFI SA (FR) 2025-09-10 — — EP disclosed
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