SCHEMBL31682053

SCHEMBL31682053

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2cnc(C(=O)O)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ TBXA2R P21731 1/20 0.41
▸ TBXAS1 P24557 1/20 0.41
▸ HDAC8 Q9BY41 2/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ GHSR Q92847 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ AKT1 P31749 4/20 0.39
▸ IRS1 P35568 3/20 0.39
▸ GAB1 Q13480 3/20 0.39
▸ NAMPT P43490 3/20 0.39
▸ MAPT P10636 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38

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
SCHEMBL31682055 1.00 HDAC1 (0.44) HDAC1ALDH1A1TBXA2RTBXAS1HDAC8
SCHEMBL22029370 0.95 TDP1 (0.41) HDAC1ALDH1A1TBXA2RTBXAS1HDAC8
SCHEMBL31682026 0.94 HDAC1 (0.43) HDAC1HDAC8POLBTDP1PSEN1
SCHEMBL31682111 0.94 POLB (0.50) HDAC1HDAC8POLBTDP1PSEN1
SCHEMBL31681968 0.94 POLB (0.50) HDAC1HDAC8POLBTDP1PSEN1
SCHEMBL31682042 0.92 HDAC1 (0.46) HDAC1ALDH1A1TBXA2RTBXAS1HDAC8
SCHEMBL31682086 0.89 NAMPT (0.43) HDAC1NAMPT
SCHEMBL22029393 0.88 HDAC1 (0.50) HDAC1ALDH1A1HDAC8TDP1MAPT
SCHEMBL31682017 0.88 HDAC1 (0.50) HDAC1ALDH1A1HDAC8TDP1MAPT
SCHEMBL31682121 0.88 HDAC1 (0.50) HDAC1ALDH1A1HDAC8TDP1MAPT

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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