SCHEMBL9502659

SCHEMBL9502659

COc1ccc2c(O)c(C(=O)O)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.57
KLK1 P06870 2/20 0.57
KLK6 Q92876 2/20 0.57
KDM4E B2RXH2 5/20 0.56
LDHA P00338 1/20 0.53
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.50
POLB P06746 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL9501872 0.89 KDM4E (0.55) KDM4ELDHAALDH1A1HPGDPOLB
SCHEMBL13612581 0.84 ALDH1A1 (0.65) PLGKLK1KLK6KDM4EALDH1A1
SCHEMBL3541419 0.83 KDM4E (0.54) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL14880160 0.81 KDM4E (0.53) PLGKLK1KLK6KDM4EALDH1A1
SCHEMBL11199463 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL29427197 0.79 KDM4E (0.54) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL24895107 0.79 KDM4E (0.55) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL9620963 0.79 MAPT (0.56) KDM4ELDHAALDH1A1HPGDPOLB
SCHEMBL2510203 0.79 CDC25B (0.64) KDM4EALDH1A1HPGDPOLBHSD17B10
Hydrochloric Acid SCHEMBL8668029 0.79 KDM4E (0.57) KDM4EALDH1A1HPGDPOLBABCG2

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