SCHEMBL4433640

SCHEMBL4433640

CC(O)C(CCCO)(CCCO)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2D O15399 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN2B Q13224 2/20 0.36
RIPK1 Q13546 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL4429012 0.81 RIPK1 (0.37) ALDH1A1CYP2D6HSD17B10RIPK1HTT
SCHEMBL8612132 0.79 LMNA (0.39) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL27290911 0.79 LMNA (0.39) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL27696592 0.79 KDM4E (0.40) CYP2C19CYP1A2NPSR1TRPA1
SCHEMBL6676497 0.74 TAAR1 (0.50) ALDH1A1CYP2C19KMT2ACHRM2CHRM4
SCHEMBL7736545 0.74 CYP2C19 (0.41) ALDH1A1CYP2C19KMT2ACHRM2CHRM4
SCHEMBL6195799 0.73 RIPK1 (0.43) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL8850805 0.73 CYP2D6 (0.45) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1
SCHEMBL6551716 0.73 KIF11 (0.61) CYP2D6CYP2C19CHRM2CHRM4CHRM5
SCHEMBL7306462 0.72 KIF11 (0.36) ALDH1A1CYP2D6CYP2C19HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101023111-B Modified phenol novolac resin and application thereof INDSPEC CHEMICAL CORP 2010-09-29 CN disclosed
US-7498371-B2 Obtained by reacting resorcinol, 2,4-pentanediol, and aldehyde in the presence of an acid catalyst ; relatively low level of free resorcinol; low fuming, lower Mooney viscosity (better processing), better dynamic stiffness properties; used as a methylene acceptor in a vulcanizable rubber; reinforcement SUMITOMO CHEMICAL CO., LTD. (JP) 2009-03-03 US disclosed
CN-101023111-A Modified phenol novolac resin and application thereof INDSPEC CHEMICAL CORP (US) 2007-08-22 CN disclosed
EP-1812487-A2 MODIFIED PHENOLIC NOVOLAK RESINS AND APPLICATIONS THEREOF INDSPEC CHEMICAL CORPORATION (US) 2007-08-01 EP disclosed
WO-2006036760-A2 MODIFIED PHENOLIC NOVOLAK RESINS AND APPLICATIONS THEREOF INDSPEC CHEMICAL CORPORATION (US) 2006-04-06 WO disclosed
US-20060069191-A1 Modified phenolic novolak resins and applications thereof INDSPEC CHEMICAL CORPORATION (US) 2006-03-30 US disclosed