SCHEMBL8346993

SCHEMBL8346993

CC(C)[C@H](Cl)C(=O)Oc1ccc(-c2ccc(OC(=O)[C@@H](Cl)C(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.47
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADAMTS4 O75173 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KIF11 P52732 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL8346992 1.00 ELANE (0.47) ELANEHSD17B10GAACYP1A2CYP2C9
SCHEMBL9803070 0.93 ALOX5 (0.44) ELANERAB9ASMN1; SMN2
SCHEMBL9724878 0.90 HSD17B10 (0.58) ELANEHSD17B10GAAKMT2AMAPT
SCHEMBL9724876 0.90 HSD17B10 (0.58) ELANEHSD17B10GAAKMT2AMAPT
SCHEMBL9802965 0.89 ACACB (0.47) GAACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL9803470 0.86 ACACB (0.49) CYP1A2CYP2C19L3MBTL1KMT2AMAPT
SCHEMBL9803370 0.86 RARB (0.50) CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA
SCHEMBL9857232 0.85 RXFP1 (0.43) ELANEMEN1KMT2AMAPTRAB9A
SCHEMBL11229156 0.84 ELANE (0.50) ELANEHSD17B10GAACYP1A2CYP2C9
SCHEMBL9802899 0.84 RARB (0.55) CYP1A2CYP2C9CYP2C19MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5989451-A Compounds and methods for doping liquid crystal hosts QUEEN'S UNIVERSITY AT KINGSTON (CA) 1999-11-23 US disclosed
WO-1998034995-A1 COMPOUNDS AND METHODS FOR DOPING LIQUID CRYSTAL HOSTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-08-13 WO disclosed