SCHEMBL9577267

SCHEMBL9577267

CCCCC[CH]C(C)CCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
OPRM1 P35372 1/20 0.39
DNM1 Q05193 2/20 0.35
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
CA1 P00915 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
SCHEMBL9442352 0.98 TSHR (0.42) TSHROPRM1DNM1FAAHTRPV1
SCHEMBL1901583 0.98 TSHR (0.42) TSHROPRM1DNM1FAAHTRPV1
SCHEMBL7173408 0.92 TSHR (0.38) TSHROPRM1DNM1ADH1BADH1C
SCHEMBL7698918 0.90 DNM1 (0.40) TSHROPRM1DNM1FAAHTRPV1
SCHEMBL13279660 0.88 TSHR (0.42) TSHROPRM1DNM1FAAHTRPV1
SCHEMBL9014021 0.88 TSHR (0.42) TSHROPRM1DNM1FAAHTRPV1
SCHEMBL1900761 0.88 TSHR (0.42) TSHROPRM1DNM1FAAHTRPV1
SCHEMBL10782729 0.88 TSHR (0.42) TSHROPRM1DNM1FAAHTRPV1
SCHEMBL17336107 0.88 TSHR (0.42) TSHROPRM1DNM1FAAHTRPV1
SCHEMBL19511992 0.88 TSHR (0.42) TSHROPRM1DNM1FAAHTRPV1

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-0407588-B1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEM RES (JP) 1993-12-08 EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 EP disclosed