SCHEMBL9860196

SCHEMBL9860196

CCC(=O)c1ccc2c(OC)cccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM2B Q8NHM5 3/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CTNNB1 P35222 4/20 0.43
WNT3A P56704 4/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL11815168 0.84 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL1144405 0.83 KDM4E (0.62) ALDH1A1RAB9AHPGDKDM4EHSD17B10
SCHEMBL10282867 0.83 ALDH1A1 (0.60) ALDH1A1RAB9AHPGDKDM4EMEN1
SCHEMBL28858601 0.81 LCK (0.56) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL19205985 0.81 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL10458491 0.80 CYP1A2 (0.50) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL7772381 0.79 MEN1 (0.51) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL8635494 0.79 MEN1 (0.51) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL4145846 0.79 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL18129645 0.78 MTNR1B (0.54) ALDH1A1NPC1RAB9AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0424242-A2 Process for preparing carboxylic acids by means of oxidation of corresponding aldehydes L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 1991-04-24 EP disclosed