SCHEMBL8058725

SCHEMBL8058725

CCC1(C)Cc2c(C)c(C)c(C=CC(C)=O)c(C)c2C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8058722 1.00 KDM4E (0.33) KDM4ELMNACYP2C19
SCHEMBL8072939 0.89 KDM4E (0.30) KDM4ELMNACYP2C19
SCHEMBL8072940 0.89 KDM4E (0.30) KDM4ELMNACYP2C19
SCHEMBL8072835 0.87 KDM4E (0.31) KDM4ELMNACYP2C19
SCHEMBL8072831 0.87 KDM4E (0.31) KDM4ELMNACYP2C19
SCHEMBL8074416 0.84 MAPT (0.33) LMNA
SCHEMBL8074415 0.84 MAPT (0.33) LMNA
SCHEMBL8074294 0.73
SCHEMBL8074291 0.73
SCHEMBL11965792 0.72 GLA (0.43) KDM4ELMNACYP2C19

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-6096930-A PREPARATION OF 2-METHYLINDANECARBOXYALDEHYDES BY REACTING A MALONYL HALIDE WITH A BENZENE DERIVATIVE, REDUCTION OF THE FORMED INDANEDIONE, REACTION WITH DICHLOROMETHYL METHYL ETHER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-08-01 US disclosed
WO-1996006071-A1 NOVEL HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES AND THEIR PREPARATION PROCESS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-02-29 WO disclosed