SCHEMBL9307036

SCHEMBL9307036

CC(C)(C)c1ccc(O)c(Cc2cc(CC(c3ccccc3)c3cc(Cc4cc(C(C)(C)C)ccc4O)c(O)c(Cc4cc(C(C)(C)C)ccc4O)c3)cc(Cc3cc(C(C)(C)C)ccc3O)c2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.47
TSHR P16473 2/20 0.41
CYP2C19 P33261 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 2/20 0.40
CACNA1B Q00975 1/20 0.39
AMY1A P0DUB6 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
ESR1 P03372 1/20 0.37
TP53 P04637 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
DRD1 P21728 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL9305545 0.85 CYP2D6 (0.51) CYP2D6TSHRCYP2C19CYP3A4CYP1A2
SCHEMBL30375290 0.81 AMY1A (0.50) CYP2D6CYP2C19CYP3A4CYP2C9CACNA1B
SCHEMBL3819212 0.78 CYP2D6 (0.59) CYP2D6TSHRCYP2C19CYP3A4CYP1A2
SCHEMBL1343857 0.78 CYP2D6 (0.59) CYP2D6TSHRCYP2C19CYP3A4CYP1A2
SCHEMBL1345214 0.78 CYP2D6 (0.59) CYP2D6TSHRCYP2C19CYP3A4CYP1A2
SCHEMBL3821963 0.78 CYP2D6 (0.59) CYP2D6TSHRCYP2C19CYP3A4CYP1A2
SCHEMBL3810884 0.78 CYP2D6 (0.59) CYP2D6TSHRCYP2C19CYP3A4CYP1A2
SCHEMBL1345705 0.78 CYP2D6 (0.59) CYP2D6TSHRCYP2C19CYP3A4CYP1A2
SCHEMBL1345527 0.78 CYP2D6 (0.59) CYP2D6TSHRCYP2C19CYP3A4CYP1A2
SCHEMBL9307031 0.78 CYP2D6 (0.55) CYP2D6TSHRCYP2C19CYP3A4CYP1A2

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-5376498-A Blend of an alkali-soluble resin, compound that generates an acid upon irradiation, functional aromatic compound and a phenolic compound JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-12-27 US disclosed
EP-0542572-A1 Negative type radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1993-05-19 EP disclosed