SCHEMBL9632172

SCHEMBL9632172

CCCCCCCC/C=C\CCCCCCCCc1[nH]nnc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
F7 P08709 3/20 0.38
F3 P13726 3/20 0.38
MMP2 P08253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ECE1 P42892 1/20 0.38
SGMS1 Q86VZ5 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
MUS81 Q96NY9 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
FAAH O00519 3/20 0.38
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9632173 1.00 EPHX2 (0.40) EPHX2F7F3MMP2KDM4E
SCHEMBL28089660 0.88 ALDH1A1 (0.39) KDM4EMAPTALDH1A1
SCHEMBL8527143 0.72 EPHX2 (0.40) EPHX2F7F3MMP2MAPT
SCHEMBL27338528 0.69 ALDH1A1 (0.34) MAPTALDH1A1
SCHEMBL21366450 0.66 FAAH (0.74) F7F3MMP2MAPTALOX15
SCHEMBL23040322 0.66 FAAH (0.74) F7F3MMP2MAPTALOX15
SCHEMBL23040321 0.66 FAAH (0.74) F7F3MMP2MAPTALOX15
SCHEMBL23291808 0.66 FAAH (0.74) F7F3MMP2MAPTALOX15
SCHEMBL22501120 0.66 FAAH (0.74) F7F3MMP2MAPTALOX15
SCHEMBL21942430 0.66 FAAH (0.74) F7F3MMP2MAPTALOX15

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
EP-0310364-B1 CHLORINE-FREE SILVER PROTECTIVE LUBRICANT COMPOSITION (II) AMOCO CORPORATION (US) 1992-05-20 EP disclosed
EP-0310363-B1 CHLORINE-FREE SILVER PROTECTIVE LUBRICANT COMPOSITION (I) AMOCO CORPORATION (US) 1992-05-20 EP disclosed
US-4948523-A CARBOXYLIC ACID, AMINE REACTION PRODUCT AMOCO CORPORATION (US) 1990-08-14 US disclosed
US-4871465-A MIXTURE OF ORGANOSULFUR COMPOUNDS AND HYDROCARBON-SUBSTITUTED 1,2,4-TRIAZOLES AMOCO CORPORATION (US) 1989-10-03 US disclosed
EP-0310363-A1 Chlorine-free silver protective lubricant composition (I) AMOCO CORPORATION (US) 1989-04-05 EP disclosed
EP-0310364-A1 Chlorine-free silver protective lubricant composition (II) AMOCO CORPORATION (US) 1989-04-05 EP disclosed