SCHEMBL7440978

SCHEMBL7440978

CCCCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.69
LTA4H P09960 16/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
HTT P42858 1/20 0.67
HRH3 Q9Y5N1 1/20 0.57

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
SCHEMBL570564 0.96 L3MBTL1 (0.70) L3MBTL1LTA4HCYP1A2CYP2D6CYP2C9
SCHEMBL18854865 0.94 L3MBTL1 (0.68) L3MBTL1LTA4HCYP1A2CYP2D6CYP2C9
SCHEMBL18995913 0.94 L3MBTL1 (0.68) L3MBTL1LTA4HCYP1A2CYP2D6CYP2C9
SCHEMBL28676091 0.94 L3MBTL1 (0.68) L3MBTL1LTA4HCYP1A2CYP2D6CYP2C9
SCHEMBL18854866 0.94 L3MBTL1 (0.68) L3MBTL1LTA4HCYP1A2CYP2D6CYP2C9
SCHEMBL2492282 0.92 CYP2D6 (0.59) L3MBTL1LTA4HCYP1A2CYP2D6CYP2C9
SCHEMBL11289148 0.88 LTA4H (0.66) L3MBTL1LTA4H
SCHEMBL8672820 0.85 LTA4H (0.74) L3MBTL1LTA4HCYP1A2CYP2D6CYP2C9
SCHEMBL1331014 0.85 LTA4H (0.87) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL36192 0.85 LTA4H (0.87) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19

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
US-5128337-A Hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-07 US claimed
EP-2060949-A1 RADIATION-SENSITIVE COMPOSITION AND PROCESS FOR PRODUCING LOW-MOLECULAR COMPOUND FOR USE THEREIN JSR Corporation (JP) 2009-05-20 EP disclosed