SCHEMBL9782008

SCHEMBL9782008

CCOCCOC(Cc1ccccc1)NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MMP8 P22894 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.41
HPRT1 P00492 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ACACB O00763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
CTRB1 P17538 2/20 0.39

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
SCHEMBL3400152 0.79 CTRB1 (0.48) MMP8NPC1RAB9ALMNAMEN1
SCHEMBL5544627 0.78 NPC1 (0.53) MMP8NPC1RAB9ALMNATAAR1
SCHEMBL11076699 0.74 NPC1 (0.49) MMP8NPC1RAB9ALMNACTRB1
SCHEMBL4509037 0.71 MMP8 (0.46) TSHRMMP8NPC1RAB9A
SCHEMBL21925496 0.71 TSHR (0.51) TSHR
SCHEMBL13915938 0.71 TSHR (0.48) TSHRMMP8NPC1RAB9ASMN1; SMN2
SCHEMBL16732121 0.71 TSHR (0.40) TSHRMMP8RAB9ALMNAMEN1
SCHEMBL25982910 0.71 ALPI (0.53) TSHRMMP8
SCHEMBL26023598 0.71 ALPI (0.53) TSHRMMP8
SCHEMBL9395003 0.70 SMN1; SMN2 (0.48) MMP8SMN1; SMN2

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-4988714-A Drugs for treatment of obesity and diabetics, increases protein breakdown, for fattening animals HOFFMANN-LA ROCHE INC. (US) 1991-01-29 US disclosed
US-4800206-A ANTIDIABETIC AGENTS; HYPOGLYCEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1989-01-24 US disclosed