SCHEMBL7320301

SCHEMBL7320301

CC(=O)O[C@@H]([C@H](CC=O)OC(C)=O)[C@@H](C)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.37
TRPV1 Q8NER1 2/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL570593 1.00 TDP1 (0.43) TDP1TSHRTRPV1CHRM2CHRM4
SCHEMBL10506288 0.81 TDP1 (0.43) TDP1TSHRTRPV1
SCHEMBL10506282 0.81 TDP1 (0.43) TDP1TSHRTRPV1
SCHEMBL10507704 0.81 TDP1 (0.43) TDP1TSHRTRPV1
SCHEMBL10507699 0.81 TDP1 (0.43) TDP1TSHRTRPV1
SCHEMBL10511575 0.81 TDP1 (0.43) TDP1TSHRTRPV1
SCHEMBL570751 0.79 TDP1 (0.44) TDP1TSHRTRPV1
SCHEMBL5792082 0.79 TDP1 (0.68) TDP1TSHRTRPV1
SCHEMBL7566395 0.79 TDP1 (0.68) TDP1TSHRTRPV1
SCHEMBL8371313 0.79 TDP1 (0.68) TDP1TSHRTRPV1

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-0310519-B1 ANDROSTANE 17-CARBOXYLIC-ACID ESTERS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM LABORATOIRE NATIVELLE (Société Anonyme) (FR) 1992-08-19 EP claimed
US-4885280-A CARDIOTONIC AGENTS NORWICH EATON PHARMACEUTICALS, INC. (US) 1989-12-05 US claimed
US-4885280-A CARDIOTONIC AGENTS NORWICH EATON PHARMACEUTICALS, INC. (US) 1989-12-05 US disclosed