SCHEMBL16319459

SCHEMBL16319459

COc1cc(Cl)ccc1Oc1ccc(C(=O)O)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.53
POLB P06746 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
GRIK1 P39086 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LPAR1 Q92633 1/20 0.45

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
SCHEMBL370151 0.89 TTR (0.43) TTRPOLBKDM4EALDH1A1MEN1
SCHEMBL927573 0.86 ALDH1A1 (0.62) TTRKDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL10574721 0.85 ALDH1A1 (0.61) TTRKDM4EALDH1A1MEN1KMT2A
SCHEMBL10887493 0.85 ALDH1A1 (0.61) TTRKDM4EALDH1A1MEN1KMT2A
SCHEMBL15094072 0.82 TTR (0.68) TTRPOLBALDH1A1MEN1KMT2A
SCHEMBL16319923 0.81 FLT1 (0.59) MAPTSMN1; SMN2FLT1FLT4KDR
SCHEMBL21327408 0.81 SCN8A (0.60) TTRGRIK1HTT
SCHEMBL11374742 0.80 KDM4E (0.65) POLBKDM4EMEN1KMT2AHPGD
SCHEMBL11398514 0.79 HTT (0.69) TTRKDM4EALDH1A1HPGDMAPK1
SCHEMBL31335594 0.79 AKR1C3 (0.51) TTRPOLBKDM4EALDH1A1MEN1

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
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed