SCHEMBL11143012

SCHEMBL11143012

C[C@]12CC[C@@H]3c4ccc(OC(=O)CCCC(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.72
ALDH1A1 P00352 1/20 0.72
CYP3A4 P08684 4/20 0.69
HSD17B1 P14061 4/20 0.66
MAPT P10636 4/20 0.66
LMNA P02545 2/20 0.66
RECQL P46063 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
STS P08842 8/20 0.64
ABCC4 O15439 1/20 0.64
CYP2C9 P11712 1/20 0.64
ABCC1 P33527 1/20 0.64
SLCO1B1 Q9Y6L6 1/20 0.64
ESR1 P03372 2/20 0.61
ESR2 Q92731 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61

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
SCHEMBL22070255 1.00 KDM4E (0.72) KDM4EALDH1A1CYP3A4HSD17B1MAPT
SCHEMBL22070254 0.96 CYP3A4 (0.71) KDM4EALDH1A1CYP3A4HSD17B1MAPT
SCHEMBL8903503 0.94 KDM4E (0.74) KDM4EALDH1A1CYP3A4HSD17B1MAPT
SCHEMBL12186933 0.94 KDM4E (0.74) KDM4EALDH1A1CYP3A4HSD17B1MAPT
SCHEMBL11228735 0.91 KDM4E (0.60) KDM4EALDH1A1CYP3A4HSD17B1MAPT
SCHEMBL3322364 0.90 CYP3A4 (0.66) KDM4EALDH1A1CYP3A4HSD17B1MAPT
SCHEMBL26659900 0.90 CYP3A4 (0.66) KDM4EALDH1A1CYP3A4HSD17B1MAPT
SCHEMBL7992527 0.88 CYP3A4 (0.72) KDM4EALDH1A1CYP3A4HSD17B1MAPT
SCHEMBL10710176 0.87 CYP3A4 (0.73) KDM4EALDH1A1CYP3A4HSD17B1MAPT
SCHEMBL19393194 0.87 STS (0.68) KDM4EALDH1A1CYP3A4HSD17B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4376825-A ENZYME-BOUND LIGANDS WITH FREE REACTIVE SITES WHICH CAN BIND RECEPTORS SYVA COMPANY (US) 1983-03-15 US disclosed
EP-0062632-A1 STERIC HINDRANCE ENZYME IMMUNOASSAY UNIVERSITY OF MIAMI (US) 1982-10-20 EP disclosed
WO-1982001378-A1 STERIC HINDRANCE ENZYME IMMUNOASSAY UNIV MIAMI (US) 1982-04-29 WO disclosed
US-4282325-A FOR AMPLIFICATION IN ASSAYS SYVA COMPANY (US) 1981-08-04 US disclosed
US-4203802-A ENZYME BOUND TO AN ESTROGEN LIGAND SYVA COMPANY (US) 1980-05-20 US disclosed
US-4190496-A RECEPTOR, LIGAND, AND ENZYME-BOUND SYVA COMPANY (US) 1980-02-26 US disclosed
US-4067774-A Compounds for enzyme amplification assay SYVA COMPANY (US) 1978-01-10 US disclosed
US-3975237-A LIGANDS SYVA COMPANY (US) 1976-08-17 US disclosed
US-3966764-A ELECTRON SPIN RESONANCE SYVA COMPANY (US) 1976-06-29 US disclosed
US-3966556-A Compounds for enzyme amplification assay methadone analogs SYVA COMPANY (US) 1976-06-29 US disclosed
US-3966744-A Spin labeled compounds SYVA COMPANY (US) 1976-06-29 US disclosed