SCHEMBL9509846

SCHEMBL9509846

CC(=O)OC(C)CCC(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
TBXA2R P21731 1/20 0.48
GABRR1 P24046 2/20 0.48
CYP1A2 P05177 1/20 0.48
BLM P54132 2/20 0.47
GALR3 O60755 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACE2 Q9BYF1 1/20 0.39
ALOX15 P16050 1/20 0.39
LTA4H P09960 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
FAAH O00519 1/20 0.36
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33

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
SCHEMBL10793944 0.88 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10796086 0.88 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10804192 0.88 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14590461 0.81 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9511255 0.80 GABRR1 (0.46) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL22127608 0.80 GABRR1 (0.46) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL3685378 0.79 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9511056 0.79 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9508041 0.78 GABRR1 (0.45) CHRM1GABRR1CYP1A2BLMACE2
SCHEMBL28084282 0.78 TSHR (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R

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-0388960-B1 OPTICALLY ACTIVE COMPOUNDS AND THEIR PREPARATION AND USE HITACHI, LTD. (JP) 1993-10-06 EP disclosed
US-5152919-A Stability, chemical resistance, high speed response, large spo ntaneous polarization, molecular orientation and wide temperat ure range HITACHI, LTD. (JP) 1992-10-06 US disclosed
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 EP disclosed