SCHEMBL8973273

SCHEMBL8973273

C=CCc1cc(C(C)CC)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
HSPA5 P11021 2/20 0.39
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
HIF1A Q16665 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 2/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
XDH P47989 1/20 0.33
ALDH1A1 P00352 3/20 0.33
USP2 O75604 2/20 0.33
GAA P10253 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 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
SCHEMBL10778785 0.83 HSPA5 (0.56) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL30337273 0.83 HSPA5 (0.56) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL22190072 0.83 CYP1A2 (0.53) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL144821 0.81 CA2 (0.50) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL2951999 0.77 CYP1A2 (0.44) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL5462999 0.75 HSPA5 (0.66) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL1598616 0.75 HSPA5 (0.53) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL12626206 0.75 CYP2C9 (0.52) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL5464370 0.75 ALDH1A1 (0.45) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19
SCHEMBL11391046 0.75 HSPA5 (0.43) CYP1A2CYP2D6HSPA5CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702019-A1 Liquid neo-diol phosphites as polymer stabilizers GENERAL ELECTRIC COMPANY (US) 1996-03-20 EP disclosed
EP-0699216-A1 MELT PROCESSABLE POLYESTERS AND POLY(IMIDE-ESTERS) E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-03-06 EP disclosed
WO-1994028052-A1 MELT PROCESSABLE POLYESTERS AND POLY(IMIDE-ESTERS) E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-12-08 WO disclosed