SCHEMBL30967880

SCHEMBL30967880

N#CCc1cccc([C@@H]2C[C@H]2C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.51
▸ CYP4F2 P78329 2/20 0.45
▸ CYP4A11 Q02928 2/20 0.45
▸ ENPP2 Q13822 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ KDM1A O60341 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 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
SCHEMBL30967881 1.00 FFAR1 (0.51) FFAR1CYP4F2CYP4A11ENPP2DRD2
SCHEMBL30217036 0.82 DRD2 (0.41) FFAR1ENPP2DRD2DRD3
SCHEMBL3421589 0.81 CYP4F2 (0.47) FFAR1CYP4F2CYP4A11KDM1AMAOA
SCHEMBL5487171 0.79 CYP4F2 (0.50) FFAR1CYP4F2CYP4A11KDM1AMAOA
SCHEMBL6170154 0.78 HRH3 (0.57) FFAR1DRD2DRD3KDM1AMAOA
SCHEMBL6161764 0.78 HRH3 (0.57) FFAR1DRD2DRD3KDM1AMAOA
SCHEMBL7106442 0.78 HRH3 (0.57) FFAR1DRD2DRD3KDM1AMAOA
Benzene SCHEMBL5438521 0.74 ENPP2 (0.61) FFAR1ENPP2DRD2DRD3MMP3
SCHEMBL24739852 0.73 AKR1C3 (0.51) FFAR1HDAC4
SCHEMBL4775489 0.73 FFAR1 (0.50) FFAR1HDAC4

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
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