SCHEMBL10959657

SCHEMBL10959657

CCCc1c(OCc2ccccc2)ccc(C=O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYSLTR1 Q9Y271 4/20 0.44
GRM2 Q14416 2/20 0.44
CYSLTR2 Q9NS75 2/20 0.44
CTSD P07339 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
LIPE Q05469 1/20 0.42

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
SCHEMBL16095408 0.89 ERN1 (0.50) ERN1MAPTSMN1; SMN2L3MBTL1CYP2C9
SCHEMBL7046194 0.84 SMN1; SMN2 (0.43) ERN1MAPTSMN1; SMN2L3MBTL1TDP1
SCHEMBL7046356 0.82 MAPT (0.41) ERN1MAPTSMN1; SMN2L3MBTL1TDP1
SCHEMBL9120538 0.82 MAPT (0.67) MAPTSMN1; SMN2L3MBTL1CYP2C9CYP2C19
SCHEMBL768225 0.81 MAPT (0.66) ERN1MAPTSMN1; SMN2L3MBTL1CYP2C9
SCHEMBL16097345 0.81 ERN1 (0.47) ERN1MAPTSMN1; SMN2L3MBTL1CYP2C9
SCHEMBL12035865 0.81 ERN1 (0.47) ERN1MAPTSMN1; SMN2L3MBTL1CYP2C9
SCHEMBL3337249 0.79 ERN1 (0.51) ERN1L3MBTL1CYSLTR1CYSLTR2
SCHEMBL3881769 0.78 CYSLTR2 (0.46) MAPTCYP2C9CYSLTR1GRM2CYSLTR2
SCHEMBL10956480 0.78 ABCB1 (0.44) MAPTSMN1; SMN2CYP2C19NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0061800-B1 ANTI SRS-A CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM FISONS plc (GB) 1985-08-28 EP disclosed
US-4518612-A Naphthalene and 2-oxo-benzopyran acids and derivatives and pharamaceutical use thereof FISONS PLC (GB) 1985-05-21 US disclosed
US-4424231-A Compounds FISONS LIMITED (GB) 1984-01-03 US disclosed
EP-0061800-A1 Anti SRS-A carboxylic acid derivatives, processes for their production and pharmaceutical formulations containing them FISONS plc (GB) 1982-10-06 EP disclosed