SCHEMBL7526153

SCHEMBL7526153

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
CETP P11597 1/20 0.35
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
CA1 P00915 2/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7523865 1.00 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7527175 0.82 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18116510 0.82 TSHR (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL8407812 0.76 FAAH (0.44) MAPT
SCHEMBL11550466 0.75 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL497899 0.75 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL8630627 0.74 TRPV1 (0.37) TSHRSMN1; SMN2TRPV1ALDH1A1
SCHEMBL8626687 0.74 TRPV1 (0.37) TSHRSMN1; SMN2TRPV1ALDH1A1
SCHEMBL20412554 0.73 TDP1 (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL19395982 0.72 TSHR (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842915-B1 Optically active alcohol and process for the production thereof MITSUBISHI GAS CHEMICAL CO (JP) 2002-03-27 EP disclosed
EP-0842915-A2 Optically active alcohol and process for the production thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-05-20 EP disclosed