SCHEMBL9627366

SCHEMBL9627366

COc1cc(OC(C)=O)c2cc(-c3ccccc3)ccc2c1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
POLB P06746 2/20 0.49
PAX8 Q06710 1/20 0.49
BACE1 P56817 5/20 0.48
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ABCB1 P08183 3/20 0.44
CFD P00746 1/20 0.43
ABCB11 O95342 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TNFSF11 O14788 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 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
SCHEMBL9627441 0.88 BACE1 (0.49) HTTPOLBPAX8BACE1PDE4A
SCHEMBL9628456 0.86 ABCC1 (0.45) POLBPAX8BACE1PDE4APDE4B
SCHEMBL9628306 0.86 HTT (0.47) HTTBACE1CFDMEN1KMT2A
SCHEMBL9627465 0.84 HTT (0.69) HTTBACE1ABCB11MEN1KMT2A
SCHEMBL9642256 0.83 ABCB11 (0.61) HTTPOLBPAX8BACE1PDE4A
SCHEMBL9627895 0.81 CFD (0.47) HTTPOLBCFDABCB11TNFSF11
SCHEMBL9627541 0.80 HTT (0.51) HTTPOLBABCB11KMT2AMAPT
SCHEMBL9627729 0.80 TUBB4A (0.54) HTTBACE1ABCB11MEN1KMT2A
SCHEMBL9627466 0.79 HTT (0.61) HTTBACE1ABCB11MEN1KMT2A
SCHEMBL9627790 0.79 HTT (0.47) HTTPOLBABCB1CFDABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed