SCHEMBL4213397

SCHEMBL4213397

CC(C)CC(C)CC(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.48
SLC7A5 Q01650 1/20 0.48
FOLH1 Q04609 2/20 0.46
NAALAD2 Q9Y3Q0 2/20 0.46
ENPEP Q07075 2/20 0.46
BLM P54132 1/20 0.46
GABRR1 P24046 2/20 0.42
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 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
SCHEMBL23499736 0.92 NAALAD2 (0.52) RNPEPSLC7A5FOLH1NAALAD2ENPEP
SCHEMBL23499629 0.89 NAALAD2 (0.50) RNPEPSLC7A5FOLH1NAALAD2ENPEP
SCHEMBL4662945 0.86
SCHEMBL2601836 0.86
SCHEMBL275848 0.86
Phosphine SCHEMBL27416822 0.83 RNPEP (0.52) RNPEPSLC7A5FOLH1NAALAD2ENPEP
SCHEMBL23924659 0.80 ENPEP (0.54) SLC7A5FOLH1NAALAD2ENPEPBLM
SCHEMBL5738809 0.80 NAALAD2 (0.43) RNPEPSLC7A5FOLH1NAALAD2ENPEP
SCHEMBL1684036 0.80 NAALAD2 (0.43) RNPEPSLC7A5FOLH1NAALAD2ENPEP
SCHEMBL5879035 0.80 NAALAD2 (0.43) RNPEPSLC7A5FOLH1NAALAD2ENPEP

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
US-20230159706-A1 FREE-RADICAL PHOTOINITIATORS AND USES OF SAME IN SILICONE COMPOSITIONS UNIVERSITE DE HAUTE ALSACE (FR) 2023-05-25 US disclosed
EP-0804402-B1 ORGANIC COMPOUNDS AND PROCESSES FOR THEIR MANUFACTURE EXXONMOBIL CHEM PATENTS INC (US) 2009-10-07 EP disclosed
US-6307093-B1 ESTERS OF BRANCHED C.SUB.9 ALCOHOLS SUITABLE AS PLASTICIZERS; C6 ALDEHYDE AND A SATURATED ALIPHATIC C9 ALDEHYDE; REFRIGERANT LUBRICANTS EXXONMOBIL CHEMICAL PATENTS INC. 2001-10-23 US disclosed
US-6090986-A MANUFACTURE OF A SATURATED ALIPHATIC ALDEHYDE CONTAINING A TOTAL OF 9 CARBON ATOMS WHICH COMPRISES SUBJECTING A SATURATED C6 ALDEHYDE TO AN ALDOL CONDENSATION WITH PROPANAL TO FORM AN UNSATURATED C9 ALDEHYDE, AND HYDROGENATION EXXON CHEMICAL PATENTS INC. (US) 2000-07-18 US disclosed
US-5855628-A LOW SULFUR, MIXTURE OF MONOGLYCERIDE AND DIGLYCERIDE KAO CORPORATION (JP) 1999-01-05 US disclosed