SCHEMBL9502674

SCHEMBL9502674

CC(C)Oc1ccc2cccc(O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.49
CYP1A2 P05177 1/20 0.44
ITK Q08881 1/20 0.44
ALDH1A1 P00352 1/20 0.42
PNLIP P16233 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
MTNR1A P48039 3/20 0.41
PLG P00747 2/20 0.41
PLAU P00749 2/20 0.41
PLAT P00750 2/20 0.41
NQO2 P16083 1/20 0.41
F2 P00734 1/20 0.41
KLKB1 P03952 1/20 0.41
PRSS1 P07477 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL26725170 0.86 PLAU (0.49) CYP1A2ALDH1A1PNLIPGRIN2DGRIN2A
SCHEMBL7079680 0.82 MTNR1A (0.48) CTDSP1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL27504643 0.81 CYP3A4 (0.54) CTDSP1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL10604256 0.81 MCHR1 (0.50) CYP1A2ITKALDH1A1MTNR1APLG
SCHEMBL169434 0.80 MTNR1A (0.55) CTDSP1CYP1A2MTNR1ANQO2MTNR1B
SCHEMBL16187157 0.79 CTDSP1 (0.45) CTDSP1CYP1A2GRIN2DGRIN2AGRIN2B
SCHEMBL15773008 0.78 NQO1 (0.47) CYP1A2ITKALDH1A1MTNR1APLG
SCHEMBL9610674 0.76 ELANE (0.47) CTDSP1CYP1A2GRIN2DGRIN2AGRIN2B
SCHEMBL276584 0.75 CYP1A2 (0.58) CYP1A2ALDH1A1KMT2AIRAK4PPARG
SCHEMBL18674135 0.75 CYP1A2 (0.52) CTDSP1CYP1A2ALDH1A1GRIN2DGRIN2A

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