SCHEMBL9687625

SCHEMBL9687625

O=C[C@@H]1[C@H]2CC3(C[C@H]2C[C@H]1OC(=O)c1ccccc1)OCCO3

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ CHRM2 P08172 2/20 0.37
▸ CHRM4 P08173 2/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ CHRM3 P20309 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL16072779 0.89 GAA (0.39) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL16077039 0.89 GAA (0.39) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL10729081 0.85 RAB9A (0.48) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL10734643 0.81 RAB9A (0.34) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL10727269 0.81 RAB9A (0.34) GAACHRM2CHRM4CHRM1CHRM3
SCHEMBL11291915 0.80 BCHE (0.39) BCHE
SCHEMBL10733946 0.79 BCHE (0.39) BCHE
SCHEMBL10729347 0.78 CHRNA7 (0.37) —
SCHEMBL9732110 0.78 ABCB1 (0.31) —
SCHEMBL9732106 0.78 ABCB1 (0.31) —

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-5157042-A 3-OXA-5-FLUORO-CARBACYCLINS, THEIR PREPARATION AND USE AS MEDICINAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-10-20 — — US disclosed
US-5124343-A Carbacyclins, process for the preparation thereof, and use thereof as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1992-06-23 — — US disclosed
US-4954524-A Carbacylcins, their preparation and use as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1990-09-04 — — US disclosed
US-4708963-A Novel carbacyclins, their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1987-11-24 — — US disclosed
US-4692464-A Novel prostacyclin derivatives and a process for the preparation thereof SCHERING AKTIENGESELLSCHAFT (DE) 1987-09-08 — — US disclosed
US-4497830-A Carbacyclins, their preparation and pharmacological use SCHERING AKTIENGESELLSCHAFT (DE) 1985-02-05 — — US disclosed
US-4423067-A Carbacyclins, their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1983-12-27 — — US disclosed
US-4359581-A Process for the production of caracyclin intermediates SCHERING AG (DE) 1982-11-16 — — US disclosed
Send feedback