SCHEMBL9754994

SCHEMBL9754994

CCC1(CC)CCC(C)(C)CC(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL9754962 0.81 MAPT (0.36) KDM4ELMNACYP2C19MAPTALDH1A1
SCHEMBL3091624 0.80 KDM4E (0.37) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL14235092 0.78
SCHEMBL27070172 0.75 KDM4E (0.34) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL5740990 0.71 TRIM24 (0.33) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL2691041 0.69
SCHEMBL1186756 0.69 KDM4E (0.37) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL932594 0.67 KDM4E (0.46) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL1392715 0.66
SCHEMBL638075 0.65 MAPT (0.36) KDM4ELMNACYP2C19MAPTALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991013616-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-09-19 WO disclosed
EP-0403487-A4 NOVEL HMG-COA REDUCTASE INHIBITORS 1991-06-05 EP disclosed
US-4996234-A Anticholesterol agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-02-26 US disclosed
EP-0403487-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-12-27 EP disclosed
US-4900754-A ANTICHOLESTEROL AGENTS RORER PHARMACEUTICAL CORP. (US) 1990-02-13 US disclosed
US-4863957-A ANTICHOLESTEROL AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1989-09-05 US disclosed
WO-1989005639-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-06-29 WO disclosed