SCHEMBL9628092

SCHEMBL9628092

Oc1c(OCc2ccccc2)cc(OCc2ccccc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LIPE Q05469 1/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.44
ALOX5 P09917 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2C9 P11712 1/20 0.44
ALPG P10696 1/20 0.44
PTK2B Q14289 1/20 0.44

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
SCHEMBL19612242 0.90 MRGPRX4 (0.53) HDAC6MAPTMRGPRX4ALOX5SMN1; SMN2
SCHEMBL17912883 0.89 LMNA (0.45) CYP2C19LMNACYP1A2PTGS1SLC6A2
SCHEMBL7705106 0.85 MAPT (0.50) CYP2C19LMNACYP1A2PTGS1SLC6A2
SCHEMBL17912858 0.85 ACLY (0.47) CYP2C19LMNACYP1A2PTGS1SLC6A2
SCHEMBL10823520 0.83 ELANE (0.46)
SCHEMBL10422130 0.82 CASP3 (0.61) CYP2C19MAPTL3MBTL1TDP1MRGPRX4
SCHEMBL14283740 0.81 CYP2C19 (0.53) CYP2C19LMNACYP1A2PTGS1SLC6A2
SCHEMBL29018842 0.79 SMN1; SMN2 (0.49) CYP2C19LMNACYP1A2PTGS1SLC6A2
SCHEMBL29380769 0.78 MAPT (0.57) CYP2C19LMNACYP1A2PTGS1SLC6A2
SCHEMBL416462 0.78 MAPT (0.57) CYP2C19LMNACYP1A2PTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed