SCHEMBL9643170

SCHEMBL9643170

COc1c(OC)c(-c2ccccc2)c2c(OC(C)=O)c(Cl)ccc2c1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.57
PDE4B Q07343 3/20 0.57
PDE4C Q08493 3/20 0.57
PDE4D Q08499 3/20 0.57
ABCB11 O95342 1/20 0.46
BACE1 P56817 3/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 1/20 0.42
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB3 Q13509 3/20 0.41
TUBB2A Q13885 3/20 0.41
TUBB8 Q3ZCM7 3/20 0.41
TUBA3E Q6PEY2 3/20 0.41
TUBA1A Q71U36 3/20 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
SCHEMBL9641858 0.88 BACE1 (0.48) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL9643184 0.81 MRGPRX4 (0.42) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL10502752 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL9641654 0.80 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL9713725 0.79 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL27832461 0.77 BACE1 (0.53) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL9629480 0.77 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL9642624 0.76 PREP (0.36) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL8667615 0.74 ALDH1A1 (0.55) PDE4APDE4BPDE4CPDE4DABCB11
SCHEMBL10706057 0.71 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
US-4946845-A STABLE ANTIINFLAMMATORY AGENTS, LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1990-08-07 US disclosed
EP-0146145-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1989-08-30 EP disclosed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP disclosed
US-4593120-A Naphthalene-1,4-dicarboxylic acid group SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed
EP-0146145-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-06-26 EP disclosed