SCHEMBL4945108

SCHEMBL4945108

CC1(C)C2=C(C=CC(O)C2=O)c2ccc(O)cc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 2/20 0.35
ESR1 P03372 5/20 0.33
ESR2 Q92731 5/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAOA P21397 1/20 0.33
UGT1A1 P22309 1/20 0.33
MAOB P27338 1/20 0.33
DYRK1A Q13627 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL26133278 0.71 ESR2 (0.42) ESR1ESR2MAOAMAOB
SCHEMBL16352796 0.70 ESR1 (0.56) IDO1ESR1ESR2CA1CA2
SCHEMBL31682684 0.70 ESR1 (0.56) IDO1ESR1ESR2CA1CA2
SCHEMBL2123476 0.69 PDK2 (0.46) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL30956355 0.69 PDK2 (0.46) OPRM1OPRD1OPRK1ESR1ESR2
SCHEMBL4945161 0.69 NPC1 (0.38) PDK2
SCHEMBL15449472 0.65 BCL2 (0.38) OPRM1ESR1ESR2CA1CA2
SCHEMBL16022361 0.63 PDK2 (0.44) ESR1ESR2PDK2
SCHEMBL14174198 0.63 PDK2 (0.40) ESR1ESR2CA1CA2CA7
SCHEMBL6248845 0.62 PDE4D (0.42) OPRM1ESR1ESR2CA1CA2

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-7378135-B2 Polymerizable liquid crystal composition and optically anisotropic thin film CHISSO CORPORATION (JP) 2008-05-27 US disclosed
US-20060222784-A1 Polymerizable liquid crystal composition and optically anisotropic thin film JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2006-10-05 US disclosed