SCHEMBL11326985

SCHEMBL11326985

CC(C)c1cc(C(=O)c2ccccc2O)cc(C(C)C)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.68
GABRB1 P18505 2/20 0.68
BCL2 P10415 3/20 0.58
MCL1 Q07820 2/20 0.58
LIG1 P18858 1/20 0.51
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
HTT P42858 1/20 0.49
GABRB2 P47870 2/20 0.46
HPGD P15428 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
SLC6A2 P23975 2/20 0.44
HIF1A Q16665 2/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
AR P10275 1/20 0.44
CHRM1 P11229 1/20 0.44
ALOX15 P16050 1/20 0.44
TBXA2R P21731 1/20 0.44

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
SCHEMBL8077329 0.85 GABRA1 (0.66) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL11758041 0.85 GABRA1 (0.71) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL8067388 0.84 GABRA1 (0.64) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL8077318 0.84 GABRA1 (0.64) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL8081926 0.84 GABRA1 (0.64) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL8075421 0.84 GABRA1 (0.64) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL8075433 0.83 GABRA1 (0.62) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL8077077 0.81 GABRA1 (0.60) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL8082189 0.81 GABRA1 (0.60) GABRA1GABRB1BCL2MCL1LMNA
SCHEMBL13639480 0.81 GABRA1 (0.60) GABRA1GABRB1BCL2MCL1LMNA

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-4256626-A 2-BENZIMIDAZOLYL-, 2-BENZOTHIAZOLYL-, OR 2-INDOLYL-PHENYL DERIVATIVES LINKED TO A 2-HYDROXYBENZOPHENONE EASTMAN KODAK COMPANY (US) 1981-03-17 US disclosed
US-4115348-A DEGRADATION INHIBITORS EASTMAN KODAK COMPANY (US) 1978-09-19 US disclosed