SCHEMBL9178555

SCHEMBL9178555

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 5/20 0.55
POLB P06746 3/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.50
SLC16A3 O15427 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MTNR1A P48039 1/20 0.50
AKR1C3 P42330 6/20 0.49
AKR1C2 P52895 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 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
SCHEMBL18546032 0.87 KDM4E (0.55) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9179944 0.86 ALDH1A1 (0.54) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9181301 0.85 KDM4E (0.52) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9501872 0.83 KDM4E (0.55) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL6414851 0.83 KDM4E (0.59) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL3327762 0.80 MTNR1A (0.70) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL7988819 0.80 KDM4E (0.51) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL1671110 0.79 CYP1A1 (0.64) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL18545875 0.78 KDM4E (0.55) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9679999 0.78 TDP1 (0.55) KDM4EALDH1A1POLBHPGDHSD17B10

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
US-5434188-A 1-ether and 1-thioether-naphthalene-2-carboxamides as inhibitors of cell adhesion and as inhibitors of the activation of HIV WARNER-LAMBERT COMPANY (US) 1995-07-18 US disclosed
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