SCHEMBL10923862

SCHEMBL10923862

O=C(O)c1cccc(C2CCc3ccc(C(=O)O)cc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.51
▸ SLC6A4 P31645 2/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MRGPRX4 Q96LA9 2/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ SRD5A2 P31213 2/20 0.39
▸ SRD5A1 P18405 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA6 P23280 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
SCHEMBL10923648 0.86 ALDH1A1 (0.46) KMOSLC6A4SLC6A2SLC6A3DRD3
SCHEMBL12365276 0.82 IGF1R (0.60) KMODRD3ALDH1A1KDM4EMEN1
SCHEMBL6951950 0.74 HAO1 (0.41) ALDH1A1KDM4EIGF1RALOX15RAB9A
SCHEMBL6951951 0.74 HAO1 (0.41) ALDH1A1KDM4EIGF1RALOX15RAB9A
SCHEMBL4484298 0.74 HAO1 (0.58) SRD5A2SRD5A1
SCHEMBL24376354 0.73 ACHE (0.50) DRD3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL484375 0.73 ACHE (0.50) DRD3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6051812 0.73 KMO (0.58) KMOALDH1A1KDM4EMEN1GAA
SCHEMBL784469 0.72 HTT (0.62) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL30706220 0.72 DDB1 (0.65) KMOPOLB

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-4508779-A POLYESTERIMIDE COATINGS SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1985-04-02 — — US disclosed
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