SCHEMBL29287222

SCHEMBL29287222

NC1(C(=O)O)CCC(C=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 8/20 0.48
▸ CYP1A2 P05177 4/20 0.48
▸ GRM2 Q14416 3/20 0.48
▸ GRM3 Q14832 3/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ ALOX15 P16050 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ GRM8 O00222 2/20 0.48
▸ GRM6 O15303 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GRM5 P41594 1/20 0.48
▸ MTOR P42345 1/20 0.48
▸ GRM1 Q13255 1/20 0.48
▸ PLCB1 Q9NQ66 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL8535924 0.79 GRM4 (0.46) GRM4CYP1A2GRM2GRM3CYP2C19
SCHEMBL8535920 0.79 GRM4 (0.46) GRM4CYP1A2GRM2GRM3CYP2C19
SCHEMBL8535034 0.77 GRM4 (0.52) GRM4CYP1A2GRM2GRM3CYP2C19
SCHEMBL912861 0.75 GRM4 (0.54) GRM4CYP1A2GRM2GRM3CYP2C19
SCHEMBL5007909 0.75 GRM4 (0.54) GRM4CYP1A2GRM2GRM3CYP2C19
SCHEMBL5007910 0.75 GRM4 (0.54) GRM4CYP1A2GRM2GRM3CYP2C19
SCHEMBL160783 0.75 GRM4 (0.54) GRM4CYP1A2GRM2GRM3CYP2C19
SCHEMBL5007908 0.75 GRM4 (0.54) GRM4CYP1A2GRM2GRM3CYP2C19
SCHEMBL544530 0.75 GRM4 (0.54) GRM4CYP1A2GRM2GRM3CYP2C19
SCHEMBL139696 0.74 FFAR3 (0.54) CYP2C19LMNAMTORALDH1A1

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
CN-109196004-A Engineered scaffold for vascularized tissue repair 加利福尼亚大学董事会 2019-01-11 — — CN disclosed
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