SCHEMBL11334796

SCHEMBL11334796

CCN(CC)c1cccc(CCC(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CNR2 P34972 2/20 0.44
▸ BRD4 O60885 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ PTPN1 P18031 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL11340512 0.87 THRB (0.52) THRATHRBALDH1A1CYP3A4MAPT
SCHEMBL15709977 0.85 SLC7A5 (0.50) THRATHRBALDH1A1CYP3A4CNR2
SCHEMBL3679227 0.83 THRA (0.67) THRATHRBALDH1A1CYP3A4CNR2
SCHEMBL5593715 0.83 MAPT (0.47) ALDH1A1CYP3A4CNR2MAPTSMN1; SMN2
SCHEMBL11341527 0.82 THRA (0.52) THRATHRBALDH1A1CYP3A4CNR2
SCHEMBL11341529 0.82 THRA (0.52) THRATHRBALDH1A1CYP3A4CNR2
SCHEMBL19540906 0.80 SIRT2 (0.52) SIRT2ALDH1A1BRD4CYP11B1CYP11B2
SCHEMBL12255149 0.80 SIRT2 (0.52) SIRT2ALDH1A1BRD4MAPTCYP11B1
SCHEMBL901672 0.78 TAAR1 (0.53) SIRT2CNR2MAPTL3MBTL1
Hydrochloric Acid SCHEMBL11301081 0.77 THRA (0.48) THRATHRBALDH1A1CYP3A4CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4243606-A AZO DYE COUPLER INTERMEDIATES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1981-01-06 — — US disclosed
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