SCHEMBL10469313

SCHEMBL10469313

Cc1cc(Cl)cc2c(=O)cc(C3CCCCC3)oc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 4/20 0.50
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
PTGER1 P34995 1/20 0.42
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
CSNK2A1 P68400 2/20 0.41
STS P08842 4/20 0.40
AHR P35869 1/20 0.39
CYP1A1 P04798 3/20 0.37
CYP1A2 P05177 2/20 0.37
CEL P19835 1/20 0.37
CSF1R P07333 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL10469196 0.79 CYP1B1 (0.65) CYP1B1CDK4CCND1STSCYP1A1
SCHEMBL10470036 0.79 CYP1B1 (0.65) CYP1B1CDK4CCND1STSCYP1A1
SCHEMBL27683996 0.79 CYP1B1 (0.44) CYP1B1CDK4CCND1PTGER1STS
SCHEMBL10469157 0.77 CYP1B1 (0.63) CYP1B1STSCYP1A1CYP1A2SIGMAR1
SCHEMBL25451382 0.75 CYP1B1 (0.50) CYP1B1CDK4CCND1CSNK2A2CSNK2B
SCHEMBL27798757 0.74 STS (0.60) CYP1B1STSSIGMAR1
SCHEMBL27798671 0.72 STS (0.59) CYP1B1STSSIGMAR1
SCHEMBL25177490 0.72 CYP1B1 (0.47) CYP1B1CDK4CCND1STSCYP1A1
SCHEMBL25451398 0.72 CYP1B1 (0.47) CYP1B1CDK4CCND1PTGER1STS
SCHEMBL30994804 0.72 CYP1B1 (0.47) CYP1B1CDK4CCND1STSCYP1A1

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-4904690-A Chromone derivatives useful as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-02-27 US disclosed
EP-0283761-A1 Chromone derivatives Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed