SCHEMBL10973111

SCHEMBL10973111

COC(=O)CCN(Cc1ccc(N(C=O)OCc2ccccc2)cc1)C(=O)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.39
▸ REN P00797 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PTPN1 P18031 2/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ MAP2K1 Q02750 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LTA4H P09960 2/20 0.35

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
SCHEMBL10752292 0.85 HDAC6 (0.37) HDAC6RENTDP1OPRM1OPRD1
SCHEMBL10973108 0.79 POLB (0.48) ALDH1A1
SCHEMBL10972161 0.76 USP2 (0.40) HDAC6RENTDP1OPRM1OPRD1
SCHEMBL14861373 0.76 TDP1 (0.48) HDAC6RENTDP1OPRM1OPRD1
SCHEMBL10752184 0.72 PKM (0.52) ALDH1A1KMT2ALTA4H
SCHEMBL10977964 0.72 ALDH1A1 (0.47) TDP1ALDH1A1LMNAKMT2A
SCHEMBL2226376 0.71 SMN1; SMN2 (0.51) RENTDP1ALDH1A1LMNAKMT2A
SCHEMBL7304372 0.71 CYP1A2 (0.44) HDAC6ALDH1A1LMNAMEN1KMT2A
SCHEMBL6936315 0.71 TSHR (0.41) TDP1ALDH1A1MEN1KMT2A
SCHEMBL3968828 0.71 CCR6 (0.54) TDP1ALDH1A1KDM4ELMNAKMT2A

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-0149534-A2 Novel thioketene derivatives and process for the preparation thereof Tanabe Seiyaku Co., Ltd. (JP) 1985-07-24 — — EP disclosed
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