SCHEMBL9750272

SCHEMBL9750272

CCOCSc1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.41
NR1H2 P55055 1/20 0.41
LTA4H P09960 2/20 0.39
ESR1 P03372 6/20 0.38
ESR2 Q92731 3/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA7 P43166 2/20 0.38
LMNA P02545 4/20 0.35
MAPT P10636 4/20 0.35
CYP3A4 P08684 3/20 0.35
ALOX15 P16050 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
PGR P06401 2/20 0.35
CHRM2 P08172 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
AR P10275 2/20 0.35

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
SCHEMBL10895650 0.87 NR1H2 (0.48) CA2NR1H2ESR1ESR2CA12
SCHEMBL1879789 0.83 NR1H2 (0.44) CA2NR1H2ESR1ESR2CA12
SCHEMBL17438166 0.82 CA2 (0.40) CA2NR1H2LTA4HESR1ESR2
SCHEMBL1835507 0.82 LMNA (0.41) CA2NR1H2LTA4HESR1ESR2
SCHEMBL7756021 0.79 HSP90AA1 (0.41) CA2NR1H2LTA4HESR1ESR2
SCHEMBL23618758 0.78 ALDH1A1 (0.48) MAPTALDH1A1HSD17B10TP53TSHR
Ether SCHEMBL3899534 0.78 NR1H2 (0.64) CA2NR1H2LTA4HESR1ESR2
SCHEMBL1324576 0.77 LMNA (0.38) CA2NR1H2LTA4HESR1ESR2
SCHEMBL8617354 0.77 LMNA (0.48) CA2NR1H2LTA4HLMNAALDH1A1
Hydroquinone SCHEMBL60032 0.77 LTA4H (0.52) CA2LTA4HESR1ESR2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562447-A1 OCULAR PAD AND METHOD FOR WARMING A PERIOCULAR AREA NTC s.r.l. (IT) 2019-11-06 EP disclosed
WO-2018122710-A1 OCULAR PAD AND METHOD FOR WARMING A PERIOCULAR AREA NTC S.R.L. (IT) 2018-07-05 WO disclosed
US-5158925-A Leuco dyes, color developer and isocyanuric acid dertivative RICOH COMPANY, LTD. (JP) 1992-10-27 US disclosed