SCHEMBL9802947

SCHEMBL9802947

COc1ccc(-c2ccc(OC(=O)C(Cl)CC(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CTSK P43235 2/20 0.41
APP P05067 1/20 0.41
CYP2C19 P33261 1/20 0.41
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 3/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL9857848 0.94 ELANE (0.43) CYP2C19MEN1KMT2AGAAMAPT
SCHEMBL9679923 0.88 ESR2 (0.41) APPCYP2C19ESR2KDM4EHSD17B10
SCHEMBL9803535 0.85 ACACB (0.45) TAS1R3TAS1R1CYP2C19MEN1HPGD
SCHEMBL9803511 0.83 TAS1R3 (0.49) TAS1R3TAS1R1CYP2C19KMT2ALMNA
SCHEMBL9803374 0.83 RARB (0.48) ALOX5TAS1R3TAS1R1CYP2C19NPC1
SCHEMBL9803363 0.82 CTSK (0.44) ALOX5TAS1R3TAS1R1CTSKAPP
SCHEMBL9803621 0.81 RARB (0.52) CYP2C19NPC1TP53LMNASMN1; SMN2
SCHEMBL9802921 0.80 RARB (0.54) CYP2C19NPC1TP53LMNASMN1; SMN2
SCHEMBL9803349 0.80 RARB (0.54) CYP2C19NPC1TP53LMNASMN1; SMN2
SCHEMBL9803347 0.80 RARB (0.54) CYP2C19NPC1TP53LMNASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0159872-B1 SMECTIC LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITIONS AJINOMOTO CO., INC. (JP) 1991-03-06 EP disclosed
US-4592858-A HIGH SPEED FERROELECTRIC SWITCHES AJINOMOTO COMPANY, INC. (JP) 1986-06-03 US disclosed
EP-0159872-A2 Smectic liquid crystal compound and liquid crystal compositions AJINOMOTO CO., INC. (JP) 1985-10-30 EP disclosed