SCHEMBL26445601

SCHEMBL26445601

COC(=O)CCCCCCCCCSc1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.51
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ LTB4R Q15722 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 3/20 0.41

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
SCHEMBL17045924 0.90 MAPT (0.48) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17052735 0.90 HDAC1 (0.45) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17056835 0.87 HDAC1 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL26445602 0.85 APEX1 (0.62) APEX1HDAC1HDAC2HDAC3HDAC4
SCHEMBL12685572 0.84 HDAC1 (0.65) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20545180 0.84 HDAC1 (0.65) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17045899 0.84 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL558414 0.83 PLA2G4B (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL557475 0.83 PLA2G4B (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20544596 0.83 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7

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
WO-2023069994-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-27 — — WO disclosed
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