SCHEMBL10972161

SCHEMBL10972161

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ REN P00797 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PPIB P23284 3/20 0.36
▸ PPIA P62937 1/20 0.36
▸ PPID Q08752 1/20 0.36
▸ PPIG Q13427 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ TLR7 Q9NYK1 2/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL10977964 0.82 ALDH1A1 (0.47) TDP1ALDH1A1LMNAKMT2AMAPT
SCHEMBL10757422 0.80 ITGB3 (0.37) USP2TSHRTDP1HDAC3HDAC1
SCHEMBL2876660 0.78 TSHR (0.50) USP2TSHRTDP1HDAC1HDAC6
SCHEMBL14861373 0.78 TDP1 (0.48) TSHRTDP1HDAC1HDAC6REN
SCHEMBL10973108 0.78 POLB (0.48) TSHRALDH1A1MAPT
SCHEMBL10752184 0.77 PKM (0.52) ALDH1A1KMT2AMAPTLTA4H
SCHEMBL10973111 0.76 HDAC6 (0.39) TDP1HDAC6RENALDH1A1KDM4E
SCHEMBL16008426 0.76 TSHR (0.48) USP2TSHRTDP1HDAC1HDAC6
SCHEMBL13521690 0.74 HDAC3 (0.46) USP2TSHRHDAC3HDAC1HDAC2
SCHEMBL71846 0.74 HSD17B10 (0.55) USP2TSHRHDAC3HDAC1HDAC2

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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