SCHEMBL10385175

SCHEMBL10385175

CCOC(=O)CC(C(=O)OCC)C1C=C(C)C(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.32
CHRM1 P11229 1/20 0.32
ALOX15 P16050 1/20 0.32
ADORA1 P30542 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10384932 0.91 CYP2D6 (0.32) CYP2D6MEN1KMT2ANPC1
SCHEMBL10385652 0.88 CYP2D6 (0.40) CYP2D6ALDH1A1TSHR
SCHEMBL10384931 0.85 KDM1A (0.30)
SCHEMBL10385212 0.79 CYP2D6 (0.31) CYP2D6MEN1KMT2ANPC1
SCHEMBL10385176 0.79 MAPT (0.32)
SCHEMBL13259181 0.78 CYP1A2 (0.34) ALDH1A1TSHR
SCHEMBL10385215 0.78 MEN1 (0.31) MEN1KMT2A
SCHEMBL10385650 0.77 CYP2D6 (0.40) CYP2D6ALDH1A1TSHRCYP3A4CHRM1
SCHEMBL10385648 0.76
SCHEMBL10386738 0.76 PRKCA (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4952611-A AROMATIC DIAMINES AND ESTERS OF TETRACARBOXYLIC ACUDS ABD DICARBOXYLIC CYCLOHEXENYL SUCCINIC ACID ETHYL CORPORATION (US) 1990-08-28 US disclosed
EP-0343999-A1 Polyimide foams and their production ETHYL CORPORATION (US) 1989-11-29 EP disclosed
US-4866104-A FLEXIBILITY, SOFTNESS ETHYL CORPORATION (US) 1989-09-12 US disclosed
US-4855332-A 2-/VICINAL-DICARBOXYCYCLOHEXENYUL/SUCCINIC ACID ETHYL CORPORATION (US) 1989-08-08 US disclosed
US-4826886-A AIRCRAFT SEAT CUSHIONS ETHYL CORPORATION (US) 1989-05-02 US disclosed