SCHEMBL9575201

SCHEMBL9575201

C=CCc1c(C(=O)c2ccc3ccccc3c2CC=C)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.45
WDR5 P61964 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
LDHA P00338 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR2 P34972 8/20 0.40
CNR1 P21554 6/20 0.40
CFTR P13569 1/20 0.40

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
SCHEMBL4319334 0.89 WDR5 (0.54) CDC25BWDR5HSD17B10ALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL7765352 0.86 WDR5 (0.40) WDR5HSD17B10ALDH1A1KDM4EGLA
SCHEMBL20740636 0.82 CYP3A4 (0.58) CDC25BWDR5HSD17B10ALDH1A1KDM4E
SCHEMBL1325658 0.77 HSD17B10 (0.63) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL31201820 0.77 HSD17B10 (0.63) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL3383358 0.77 PTPN1 (0.49) CDC25BWDR5HSD17B10ALDH1A1KDM4E
SCHEMBL11497864 0.76 TDP1 (0.54) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL253635 0.75 HSD17B10 (0.41) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL7192189 0.75 NCEH1 (0.40) HSD17B10ALDH1A1KDM4EGLAGAA
SCHEMBL11250030 0.75 WDR5 (0.44) CDC25BWDR5HSD17B10ALDH1A1KDM4E

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
JP-5310506-A None JP disclosed
JP-H05310506-A INSECT-PROOFING AGENT AND INSECT-PROOF ARTICLE USING THE SAME OSAKA KASEI KK 1993-11-22 JP disclosed