SCHEMBL31682017

SCHEMBL31682017

CC(C)(C)OC(=O)CCCCCCCCCCCCCOc1ccc(S(=O)(=O)Nc2cnc(C(=O)O)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.50
▸ FABP1 P07148 2/20 0.46
▸ CA12 O43570 4/20 0.44
▸ CA1 P00915 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ CA9 Q16790 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL22029393 1.00 HDAC1 (0.50) HDAC1FABP1CA12CA1CA2
SCHEMBL31682121 1.00 HDAC1 (0.50) HDAC1FABP1CA12CA1CA2
SCHEMBL31682042 0.95 HDAC1 (0.46) HDAC1FABP1CA12CA1CA2
SCHEMBL31682026 0.92 HDAC1 (0.43) HDAC1FABP1SMN1; SMN2LMNAPSEN1
SCHEMBL31682111 0.88 POLB (0.50) HDAC1PSEN1PSEN2APH1BNCSTN
SCHEMBL31681968 0.88 POLB (0.50) HDAC1PSEN1PSEN2APH1BNCSTN
SCHEMBL31682053 0.88 HDAC1 (0.44) HDAC1FABP1PSEN1PSEN2APH1B
SCHEMBL31682055 0.88 HDAC1 (0.44) HDAC1FABP1PSEN1PSEN2APH1B
SCHEMBL22029370 0.88 TDP1 (0.41) HDAC1FABP1PSEN1PSEN2APH1B
SCHEMBL22029391 0.87 CA12 (0.48) HDAC1FABP1CA12CA1CA2

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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