SCHEMBL30450086

SCHEMBL30450086

Cc1cc(C(C)CC(c2cc(C)c(O)cc2C)c2cc(C)c(O)cc2C)c(C)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 2/20 0.40
ALOX15 P16050 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 2/20 0.40
CYP1A2 P05177 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
CCR6 P51684 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.36

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
SCHEMBL7861316 1.00 CYP2D6 (0.40) CYP2D6CYP2C9ALOX15CYP2C19ALDH1A1
SCHEMBL14268305 0.87 ALOX15 (0.60) CYP2D6CYP2C9ALOX15CYP2C19ALDH1A1
SCHEMBL4761848 0.85 LMNA (0.50) CYP2D6CYP2C9ALOX15CYP2C19ALDH1A1
SCHEMBL11173027 0.82 ALOX15 (0.40) CYP2D6CYP2C9ALOX15CYP2C19ALDH1A1
SCHEMBL12964411 0.82 LMNA (0.47) CYP2D6CYP2C9ALOX15CYP2C19ALDH1A1
SCHEMBL27999433 0.82 RORC (0.42) CYP2D6CYP2C9ALOX15CYP2C19ALDH1A1
SCHEMBL29359445 0.81 CYP2C9 (0.65) CYP2D6CYP2C9ALOX15CYP2C19ALDH1A1
SCHEMBL9940373 0.81 GABRA1 (0.41) CYP2D6CYP2C9ALOX15CYP2C19ALDH1A1
SCHEMBL26591 0.81 CYP2C9 (0.65) CYP2D6CYP2C9ALOX15CYP2C19ALDH1A1
SCHEMBL29368497 0.81 CYP2C9 (0.65) CYP2D6CYP2C9ALOX15CYP2C19ALDH1A1

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
US-11681227-B2 Enhanced EUV photoresist materials, formulations and processes IRRESISTIBLE MATERIALS LTD (GB) 2023-06-20 US disclosed