SCHEMBL7709890

SCHEMBL7709890

CCOC(CC(OCC)OC(C)=O)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL7704110 0.98 TSHR (0.39) ALDH1A1TSHRLMNAHSD17B10CHRM2
SCHEMBL8588622 0.89 TSHR (0.41) ALDH1A1TSHRLMNAHSD17B10CHRM2
SCHEMBL202380 0.86 ALDH1A1 (0.40) ALDH1A1TSHRLMNAHSD17B10CHRM2
SCHEMBL10352883 0.84 TSHR (0.39) ALDH1A1TSHRLMNAHSD17B10CHRM2
SCHEMBL11101510 0.84 TSHR (0.39) ALDH1A1TSHRLMNAHSD17B10CHRM2
SCHEMBL10430851 0.82 TSHR (0.37) ALDH1A1TSHRLMNAHSD17B10CHRM2
SCHEMBL3030080 0.82 TSHR (0.37) ALDH1A1TSHRLMNAHSD17B10CHRM2
SCHEMBL16305399 0.82 TSHR (0.37) ALDH1A1TSHRLMNAHSD17B10CHRM2
SCHEMBL8286852 0.82 TSHR (0.37) ALDH1A1TSHRLMNAHSD17B10CHRM2
SCHEMBL861924 0.80 ALDH1A1 (0.36) ALDH1A1TSHRLMNAHSD17B10CHRM2

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-6355844-B1 CATALYTIC REACTION OF VINYL ESTER WITH ORTHO ESTER TO FORM DERIVATIVE CREANOVA, INC. 2002-03-12 US disclosed
US-4239901-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1980-12-16 US disclosed