SCHEMBL7948540

SCHEMBL7948540

CCOC(=O)c1nocc1C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 3/20 0.42
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TARBP2 Q15633 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 1/20 0.39
ELANE P08246 1/20 0.38

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
SCHEMBL6873803 0.81 HPGD (0.43) POLBTSHRHPGDALDH1A1TARBP2
SCHEMBL23990453 0.80 CYP1A2 (0.42) NPC1TSHRHPGDALDH1A1TARBP2
SCHEMBL8957137 0.80 KDM4E (0.46) GAATSHRHPGDALDH1A1KDM4E
SCHEMBL8920076 0.79 CA12 (0.46) NPC1HPGDALDH1A1TARBP2KDM4E
SCHEMBL5750757 0.79 ALDH1A1 (0.53) NPC1POLBTSHRHPGDALDH1A1
SCHEMBL8957159 0.79 TSHR (0.44) GAATSHRHPGDALDH1A1TARBP2
SCHEMBL30281292 0.79 HSP90AA1 (0.39) TSHRHPGDALDH1A1TARBP2KDM4E
SCHEMBL8957191 0.78 MAPK1 (0.42) GAATSHRALDH1A1KDM4EHSD17B10
SCHEMBL22727456 0.78 TARBP2 (0.44) POLBTSHRHPGDALDH1A1TARBP2
SCHEMBL26921830 0.78 HTT (0.46) GAANPC1HPGDALDH1A1TARBP2

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-6265423-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE EUROPEEN DE BIOPROSPECTIVE-CEB (FR) 2001-07-24 US disclosed