SCHEMBL9654285

SCHEMBL9654285

CCC(CCC(CCOC(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
LMNA P02545 2/20 0.41
KLK7 P49862 1/20 0.40
CHRM1 P11229 5/20 0.40
CHRM3 P20309 5/20 0.40
CHRM2 P08172 4/20 0.40
CHRM4 P08173 4/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL1834387 0.97 CYP1A2 (0.46) CYP1A2CYP2D6SMN1; SMN2PKMNPSR1
SCHEMBL10779505 0.90 CYP1A2 (0.44) CYP1A2CYP2D6SMN1; SMN2PKMNPSR1
SCHEMBL1835895 0.89 SMN1; SMN2 (0.45) CYP1A2CYP2D6SMN1; SMN2PKMNPSR1
SCHEMBL1841456 0.87 CHRM1 (0.48) CYP1A2CYP2D6SMN1; SMN2PKMNPSR1
SCHEMBL1834382 0.87 CYP1A2 (0.46) CYP1A2CYP2D6SMN1; SMN2PKMNPSR1
SCHEMBL1836299 0.86 CHRM1 (0.47) CYP1A2CYP2D6SMN1; SMN2PKMNPSR1
SCHEMBL1832718 0.86 POLB (0.46) CYP1A2CYP2D6SMN1; SMN2PKMNPSR1
SCHEMBL1840467 0.84 SMN1; SMN2 (0.47) CYP1A2CYP2D6SMN1; SMN2PKMNPSR1
SCHEMBL1834483 0.84 SMN1; SMN2 (0.46) CYP1A2CYP2D6SMN1; SMN2PKMNPSR1
SCHEMBL1838376 0.84 SMN1; SMN2 (0.46) CYP1A2CYP2D6SMN1; SMN2PKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240212-B1 PREPARATION OF HIGHLY PURE ALPHA-METHYLSTYRENE POLYMER THE DOW CHEMICAL COMPANY (US) 1992-03-18 EP disclosed
US-4748222-A Preparation of highly pure alpha-methylstyrene polymer THE DOW CHEMICAL COMPANY (US) 1988-05-31 US disclosed
EP-0240212-A2 Preparation of highly pure alpha-methylstyrene polymer THE DOW CHEMICAL COMPANY (US) 1987-10-07 EP disclosed
EP-0058217-B1 A PROCESS FOR PRODUCING A RANDOM COPOLYMER AND RANDOM COPOLYMER PHILLIPS PETROLEUM COMPANY (US) 1987-05-06 EP disclosed
US-4277591-A ORGANOLITHIUM INITIATOR AND AN ORGANIC COMPOUND OF SODIUM, POTASSIUM, RUBIDIUM, OR CESIUM PHILLIPS PETROLEUM COMPANY (US) 1981-07-07 US disclosed