SCHEMBL8616148

SCHEMBL8616148

CCOC(=O)c1cccnc1C(=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ BRD4 O60885 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ USP2 O75604 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ ELANE P08246 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TP53 P04637 1/20 0.42

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
SCHEMBL29870373 0.86 BRD4 (0.61) TSHRBRD4HSD17B10HTTALDH1A1
SCHEMBL1737254 0.86 BRD4 (0.61) TSHRBRD4HSD17B10HTTALDH1A1
SCHEMBL14840493 0.83 TSHR (0.58) TSHRBRD4HSD17B10HTTALDH1A1
SCHEMBL7356194 0.83 ALDH1A1 (0.61) TSHRBRD4HSD17B10HTTALDH1A1
SCHEMBL14840457 0.81 TSHR (0.54) TSHRBRD4HSD17B10HTTALDH1A1
SCHEMBL2801546 0.81 BRD4 (0.56) TSHRBRD4HSD17B10HTTALDH1A1
SCHEMBL7348096 0.80 TSHR (0.58) TSHRBRD4HSD17B10HTTALDH1A1
SCHEMBL21639387 0.79 TSHR (0.53) TSHRBRD4HSD17B10HTTALDH1A1
SCHEMBL12897074 0.78 TSHR (0.59) TSHRBRD4HSD17B10HTTALDH1A1
SCHEMBL29571304 0.78 TSHR (0.63) TSHRBRD4HSD17B10HTTALDH1A1

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
US-5851546-A Polymer composition for controlled release of active ingredients in response to pH, and a process of preparing the same COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-12-22 — — US disclosed
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