SCHEMBL368977

SCHEMBL368977

CC(C)c1cc(C(C)C)c(-c2ccc([C](c3ccccc3)c3ccccc3)cc2)c(C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 2/20 0.41
▸ FABP4 P15090 2/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ GABRA1 P14867 3/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ GABRB2 P47870 2/20 0.38
▸ BCL2 P10415 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL2727228 0.84 ROCK2 (0.49) FABP3FABP4RXRARXRBRXRG
SCHEMBL29424818 0.82 ROCK2 (0.48) FABP3FABP4RXRARXRBRXRG
Phosphine SCHEMBL27043067 0.82 ROCK2 (0.48) FABP3FABP4RXRARXRBRXRG
Carbimide SCHEMBL27867638 0.77 ROCK2 (0.44) FABP3FABP4RXRARXRBRXRG
SCHEMBL978686 0.77 GABRA1 (0.48) FABP3FABP4GABRA1GABRB1ROCK2
SCHEMBL24524266 0.74 ROCK2 (0.41) FABP3FABP4GABRA1ROCK2GABRB2
SCHEMBL25766408 0.74 ROCK2 (0.41) FABP3FABP4GABRA1ROCK2GABRB2
SCHEMBL28747511 0.73 ROCK2 (0.42) FABP3FABP4GABRA1ROCK2GABRB2
SCHEMBL30216923 0.72 GABRA1 (0.40) FABP3FABP4GABRA1ROCK2GABRB2
SCHEMBL29899326 0.72 ROCK2 (0.43) FABP3FABP4RXRARXRBRXRG

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-8097348-B2 Pi-conjugated organoboron polymers in thin-film organic electronic devices TDA RESEARCH, INC. (US) 2012-01-17 — — US disclosed
US-20090127547-A1 PI-CONJUGATED ORGANOBORON POLYMERS IN THIN-FILM ORGANIC ELECTRONIC DEVICES TDA RESEARCH, INC. 2009-05-21 — — US disclosed
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