SCHEMBL9640386

SCHEMBL9640386

C[C@@H]1OC(=O)CC2C3CCC(C3)C21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CHRM2 P08172 13/20 0.31
CHRM1 P11229 13/20 0.31
CHRM4 P08173 8/20 0.31
CHRM3 P20309 8/20 0.31
CHRM5 P08912 1/20 0.31
F2R P25116 1/20 0.30

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
SCHEMBL9640383 1.00 SMN1; SMN2 (0.40) SMN1; SMN2CA1CA9CHRM2CHRM1
SCHEMBL85690 0.76 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL9506330 0.71
SCHEMBL9639468 0.71
SCHEMBL13028429 0.70 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL785945 0.69 MEN1 (0.33) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL14593908 0.68 HTT (0.33) SMN1; SMN2
SCHEMBL786154 0.68 CHRM2 (0.32) CHRM2CHRM1CHRM4CHRM3CHRM5
SCHEMBL11965866 0.66 CHRM1 (0.36) CHRM1F2R
SCHEMBL5521244 0.65 SMN1; SMN2 (0.43) SMN1; SMN2CA1CA9CHRM2CHRM1

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-5106870-A Antiinflammatory agents, antianaphylactic agents NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-04-21 US disclosed
US-4992581-A From perhydroketo-4,7-methanoindene NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-02-12 US disclosed
US-4973604-A Thromboxane A2 antagonists and pharmaceutical compositions thereof NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-11-27 US disclosed
US-4942256-A 7-(3-ALPHA-(1-(((PHENYLAMINO)-THIOXOMETHYL)HYDRAZINO)ETHYL)-BI CYCLO(2.2.1)HEPTENOIC ACIDS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-07-17 US disclosed
WO-1990006917-A1 NOVEL THROMBOXANE A2 ANTAGONISTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-06-28 WO disclosed
EP-0373915-A1 Novel thromboxane A2 antagonists BTG INTERNATIONAL LIMITED (GB) 1990-06-20 EP disclosed