SCHEMBL4468022

SCHEMBL4468022

CCCCCCCCCCCCc1cc(O)cc(-n2nc3ccccc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.55
CYP3A4 P08684 2/20 0.53
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
TP53 P04637 1/20 0.44
HSPD1 P10809 1/20 0.44
ADRB3 P13945 1/20 0.44
HTR2C P28335 1/20 0.44
HSPE1 P61604 1/20 0.44
HIF1A Q16665 1/20 0.44
TST Q16762 1/20 0.44

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
SCHEMBL27478937 1.00 PTGS2 (0.55) PTGS2CYP3A4ESR1ADRA2AADORA3
Phenol SCHEMBL28468498 0.86 PTGS2 (0.42) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL29250231 0.85 HSD11B1 (0.40) PTGS2KDM4ECNR2CNR1
SCHEMBL27550693 0.82 DHFR (0.52) KDM4ECNR2CNR1
SCHEMBL29061455 0.80 FAAH (0.50) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL8861276 0.79 PTGS2 (0.35) PTGS2CYP3A4KDM4EALDH1A1HSD17B10
SCHEMBL29366095 0.79 MAPT (0.36) PTGS2CYP3A4KDM4ECNR2CNR1
SCHEMBL19837746 0.79 MAPT (0.36) PTGS2CYP3A4KDM4ECNR2CNR1
SCHEMBL14953136 0.76 NPC1 (0.46) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL7577937 0.76 NPC1 (0.43) PTGS2CYP3A4ESR1ADRA2AADORA3

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-8772399-B2 Flexible protective and lustrous spray gel dressing composition ASHLAND LICENSING AND INTELLECTUAL PROPERTY, LLC 2014-07-08 US disclosed
US-20090253862-A1 FLEXIBLE PROTECTIVE AND LUSTROUS SPRAY GEL DRESSING COMPOSITION ENERGIZER GROUP LIMITED (GB) 2009-10-08 US disclosed