SCHEMBL9252822

SCHEMBL9252822

C=CCCC[C@H]1CC[C@H](C2CCC(COc3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
ATF4 P18848 1/20 0.37
LTA4H P09960 3/20 0.36
ADAMTS4 O75173 1/20 0.35
MMP8 P22894 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35

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
SCHEMBL9252833 1.00 PARP15 (0.38) PARP15PARP10PARP2ATF4LTA4H
SCHEMBL9252841 1.00 PARP15 (0.38) PARP15PARP10PARP2ATF4LTA4H
SCHEMBL9249242 0.92 PARP15 (0.39) PARP15PARP10PARP2ATF4LTA4H
SCHEMBL9249223 0.92 PARP15 (0.39) PARP15PARP10PARP2ATF4LTA4H
SCHEMBL9249250 0.92 PARP15 (0.39) PARP15PARP10PARP2ATF4LTA4H
SCHEMBL9253221 0.87 DRD4 (0.39) PARP15PARP10PARP2
SCHEMBL9253229 0.87 DRD4 (0.39) PARP15PARP10PARP2
SCHEMBL9253212 0.87 DRD4 (0.39) PARP15PARP10PARP2
SCHEMBL9252109 0.86 TRPV4 (0.38) PARP15PARP10
SCHEMBL9252101 0.86 TRPV4 (0.38) PARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5454974-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1995-10-03 US disclosed
US-5378713-A Vasodilators; angina pectoris ORTHO PHARMACEUTICAL CORPORATION (US) 1995-01-03 US disclosed
US-5302317-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
US-5284857-A For treating cardiovascular disorders, angina ORTHO PHARMACEUTICAL CORPORATION (US) 1994-02-08 US disclosed
EP-0360621-B1 Substituted thienopyrans as antihypertensive agents ORTHO PHARMA CORP (US) 1994-01-19 EP disclosed
EP-0315014-B1 Halogenated benzene derivatives HOFFMANN LA ROCHE (CH) 1994-01-12 EP disclosed
EP-0315050-B1 ALCENYL BICYCLOHEXANES F. HOFFMANN-LA ROCHE AG (CH) 1993-09-01 EP disclosed
US-5230826-A HALOBENZENE LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1993-07-27 US disclosed
EP-0493048-A1 The process for the preparation of enantiomerically pure thienopyran derivative ORTHO PHARMACEUTICAL CORPORATION (US) 1992-07-01 EP disclosed
US-5013477-A Alkenylbicyclohexane liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed
EP-0331933-A2 Liquid crystal mixture with a low optical anisotropy F. HOFFMANN-LA ROCHE AG (CH) 1989-09-13 EP disclosed
EP-0315050-A2 Alcenyl bicyclohexanes F. HOFFMANN-LA ROCHE AG (CH) 1989-05-10 EP disclosed