SCHEMBL11717561

SCHEMBL11717561

[CH]=C(Cl)C(O)CCOc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CXCL12 P48061 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LTA4H P09960 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ EPHX2 P34913 1/20 0.36

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
SCHEMBL11613198 0.83 CACNA1G (0.42) MEN1KMT2A
SCHEMBL9721752 0.79 TDP1 (0.47) DRD2DRD4DRD3CYP1A2CYP2D6
SCHEMBL11610509 0.74 TAAR1 (0.41) L3MBTL1KDM4EMEN1KMT2A
SCHEMBL9721837 0.71 CXCL12 (0.44) DRD2DRD4DRD3KDM4ESMN1; SMN2
SCHEMBL9114592 0.71 CYP1A2 (0.63) DRD2DRD4DRD3CYP1A2CYP2D6
SCHEMBL19862541 0.71 TDP1 (0.66) DRD2DRD4DRD3CYP1A2CYP2D6
SCHEMBL8815738 0.70 DRD2 (0.44) DRD2DRD4DRD3CYP1A2CYP2D6
SCHEMBL4403318 0.69 MMP12 (0.47) TDP1L3MBTL1KDM4ESMN1; SMN2LTA4H
SCHEMBL10338308 0.69 MEN1 (0.60) DRD2DRD4DRD3CYP1A2CYP2D6
SCHEMBL1310073 0.68 LTA4H (0.50) DRD2DRD4DRD3L3MBTL1KDM4E

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-4029681-A 13,14-Didehydro-PG analogs THE UPJOHN COMPANY (US) 1977-06-14 — — US disclosed
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