SCHEMBL9501872

SCHEMBL9501872

COc1ccc2ccc(C(=O)O)c(O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
POLB P06746 2/20 0.55
HSD17B10 Q99714 1/20 0.55
LDHA P00338 1/20 0.54
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SLC16A3 O15427 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MTNR1A P48039 1/20 0.50
AKR1C3 P42330 3/20 0.49
AKR1C2 P52895 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 2/20 0.47

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
SCHEMBL9502659 0.89 PLG (0.57) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL21591456 0.87 ALDH1A1 (0.62) KDM4EALDH1A1HPGDPOLBNPC1
SCHEMBL9505574 0.84 ALDH1A1 (0.63) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL9178555 0.83 KDM4E (0.55) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL6414851 0.83 KDM4E (0.59) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL13612575 0.83 ALDH1A1 (0.67) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL9620963 0.80 MAPT (0.56) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL31387888 0.80 KDM4E (0.59) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL3327762 0.80 MTNR1A (0.70) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL7988819 0.80 KDM4E (0.51) KDM4EALDH1A1HPGDPOLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279466-B1 NOVEL NAPHTHALENE DERIVATIVES AND ANTIALLERGY AND ANTI-INFLAMMATORY PHARMACEUTICALS WARNER-LAMBERT COMPANY (US) 1993-05-19 EP disclosed
US-4767776-A N-1H-tetrazol-5-yl-2-naphthalene carboxamides and their use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-30 US disclosed
EP-0279466-A2 Novel naphthalene derivatives and antiallergy and anti-inflammatory pharmaceuticals WARNER-LAMBERT COMPANY (US) 1988-08-24 EP disclosed