SCHEMBL8668313

SCHEMBL8668313

CCCCC(CC)COc1ccc(-c2ncnc(O)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 3/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 3/20 0.38
HSD17B10 Q99714 3/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP2D6 P10635 2/20 0.35
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7098517 0.89 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4430185 0.84 NPC1 (0.44) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7097844 0.84 LTA4H (0.44) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL30111341 0.80 LMNA (0.41) ALDH1A1NPC1KDM4ESMN1; SMN2LMNA
SCHEMBL473811 0.80 LMNA (0.41) ALDH1A1NPC1KDM4ESMN1; SMN2LMNA
SCHEMBL20357876 0.80 CYP3A4 (0.47) ALDH1A1CYP3A4CA2LMNAHSD17B10
SCHEMBL17212283 0.80 NPC1 (0.40) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL28344806 0.80 LMNA (0.39) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL18979221 0.79 LMNA (0.40) ALDH1A1KDM4ECYP3A4CA2LMNA
SCHEMBL17831410 0.79 LMNA (0.39) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760111-A TEXTILE STABILIZERS WITH PHOTOSTABILIZERS, OXIDATION OR HEAT RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-06-02 US disclosed
US-5688995-A SUNSCREEN AGENTS CIBA-GEIGY CORPORATION (US) 1997-11-18 US disclosed