SCHEMBL10756615

SCHEMBL10756615

CCOC(=O)C(C(=O)N(Cc1cccnc1)C(C)C(=O)OC)=C1SC=CS1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ GRM2 Q14416 3/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CXCR3 P49682 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ GPBAR1 Q8TDU6 2/20 0.36
▸ NLRP3 Q96P20 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL10756619 0.81 ALDH1A1 (0.47) ALDH1A1TRPM8MAPTTP53LMNA
SCHEMBL10752178 0.76 LMNA (0.47) ALDH1A1LMNAPOLBGAAFNTA
SCHEMBL10753215 0.73 ALDH1A1 (0.47) ALDH1A1LMNAPOLBGAAFNTA
SCHEMBL9621031 0.65 ADRA1A (0.55) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL25438547 0.64 CHRNB2 (0.50) ALDH1A1LMNAGAARIPK1KMT2A
SCHEMBL27368695 0.64 KMT2A (0.56) ALDH1A1LMNAPOLBGAAFNTA
SCHEMBL16508902 0.64 TBXAS1 (0.57) ALDH1A1LMNAPOLBGAANLRP3
SCHEMBL7863128 0.64 CTDSP1 (0.56) ALDH1A1TRPM8MAPTLMNAPOLB
SCHEMBL7311226 0.63 LMNA (0.53) ALDH1A1LMNARIPK1KMT2A
SCHEMBL7311229 0.63 LMNA (0.53) ALDH1A1LMNARIPK1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4663319-A LIVER DISORDERS TANABE SEIYSKU CO., LTD. (JP) 1987-05-05 — — US disclosed
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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