SCHEMBL17731492

SCHEMBL17731492

COc1ccc(C2CCC(CC(N)=O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 9/20 0.52
▸ SOAT1 P35610 2/20 0.52
▸ CYP2C9 P11712 1/20 0.48
▸ USP30 Q70CQ3 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ FAAH O00519 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ DGAT2 Q96PD7 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL17730114 0.86 DGAT1 (0.60) DGAT1SOAT1USP30ALDH1A1MAPT
SCHEMBL20838730 0.86 DGAT1 (0.60) DGAT1SOAT1USP30ALDH1A1MAPT
SCHEMBL18763690 0.85 DGAT1 (0.51) DGAT1USP30ALDH1A1MAPTSMN1; SMN2
SCHEMBL17327303 0.85 DGAT1 (0.51) DGAT1USP30ALDH1A1MAPTSMN1; SMN2
SCHEMBL17731429 0.83 HTR2C (0.54) USP30ALDH1A1DRD2
SCHEMBL17729966 0.81 ALDH1A1 (0.48) DGAT1CYP2C9USP30ALDH1A1MAPT
SCHEMBL17730056 0.81 DGAT1 (0.46) DGAT1CYP2C9USP30ALDH1A1MAPT
SCHEMBL17737051 0.80 EPHX2 (0.73) DGAT1ALDH1A1MAPTSMN1; SMN2EPHX2
SCHEMBL20838672 0.80 EPHX2 (0.73) DGAT1ALDH1A1MAPTSMN1; SMN2EPHX2
SCHEMBL17737372 0.80 EPHX2 (0.73) DGAT1ALDH1A1MAPTSMN1; SMN2EPHX2

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-3215141-A2 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-09-13 — — EP disclosed
WO-2016073738-A2 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2016-05-12 — — WO disclosed
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