SCHEMBL9514367

SCHEMBL9514367

CC(=O)Oc1c(Cc2ccccc2)ccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GPR55 Q9Y2T6 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
SCHEMBL9770378 0.88 GPR55 (0.44) GPR55
SCHEMBL9770383 0.88 GPR55 (0.44) GPR55
SCHEMBL9516688 0.87 CNR2 (0.41) GAAHTT
SCHEMBL6933940 0.84 SMN1; SMN2 (0.47) GAAHTT
SCHEMBL9517980 0.83 MEN1 (0.46) —
SCHEMBL7666433 0.82 NCEH1 (0.43) GAAHTT
SCHEMBL9514689 0.82 CYP1A2 (0.45) GPR55
SCHEMBL9516695 0.81 PTGS1 (0.49) —
SCHEMBL8035953 0.81 ALDH1A1 (0.45) GAAHTT
SCHEMBL9749105 0.80 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006555-A Antiinflammatory, antithrombin, respiratory system disorder treatment E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-09 — — US claimed
CN-107920973-B Surface modification composition 株式会社LG生活健康 2021-05-07 — — CN disclosed
EP-0511228-A4 ESTERS OF 2-ARYLMETHYL-1-NAPHTHOL DERIVATIVES AS 5-LIPOXYGENASE INHIBITORS — 1993-04-21 — — EP disclosed
EP-0511228-A1 ESTERS OF 2-ARYLMETHYL-1-NAPHTHOL DERIVATIVES AS 5-LIPOXYGENASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-11-04 — — EP disclosed
WO-1991010430-A1 ESTERS OF 2-ARYLMETHYL-1-NAPHTHOL DERIVATIVES AS 5-LIPOXYGENASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-07-25 — — WO disclosed
US-5006555-A Antiinflammatory, antithrombin, respiratory system disorder treatment E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-09 — — US disclosed
Send feedback