SCHEMBL4429012

SCHEMBL4429012

OCCCC(CCCO)(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.37
AOC3 Q16853 2/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 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
SCHEMBL4433640 0.81 ALDH1A1 (0.37) RIPK1ALDH1A1HSD17B10HTTSMN1; SMN2
SCHEMBL27696592 0.76 KDM4E (0.40) LMNAKDM4ECYP3A4NPSR1MAPK1
SCHEMBL5596560 0.71 CHRM4 (0.38) LMNAALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL28634848 0.70 SLC6A4 (0.48) RIPK1AOC3LMNAALDH1A1SMN1; SMN2
SCHEMBL6551716 0.70 KIF11 (0.61) CYP3A4CYP2D6KCNH2KIF11
SCHEMBL27290911 0.69 LMNA (0.39) RIPK1LMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL8612132 0.69 LMNA (0.39) RIPK1LMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7453762 0.69 KIF11 (0.59) CYP3A4CYP2D6KCNH2KIF11SIGMAR1
SCHEMBL2006125 0.69 CHRM4 (0.56) LMNASMN1; SMN2KDM4ECYP2D6KCNH2
Ammonia Solution, Strong SCHEMBL2922340 0.69 KIF11 (0.59) CYP3A4CYP2D6KCNH2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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