SCHEMBL9764955

SCHEMBL9764955

CC1CCC(C)CC(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
MAPK1 P28482 1/20 0.40
TLR4 O00206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CA1 P00915 2/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
ABCB1 P08183 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2683089 0.88 MAPK1 (0.48) CRBNMAPK1TLR4SMN1; SMN2NOS3
SCHEMBL1073565 0.86
SCHEMBL418184 0.81
SCHEMBL106510 0.81
SCHEMBL1523123 0.81
SCHEMBL16128180 0.81 DRD2 (0.32) CRBNMAPK1TLR4NOS3NOS1
SCHEMBL10934052 0.80
SCHEMBL339946 0.80
SCHEMBL10934045 0.80
SCHEMBL3664749 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
EP-0403487-A4 NOVEL HMG-COA REDUCTASE INHIBITORS 1991-06-05 EP disclosed
US-4996234-A Anticholesterol agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-02-26 US disclosed
EP-0403487-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-12-27 EP disclosed
US-4900754-A ANTICHOLESTEROL AGENTS RORER PHARMACEUTICAL CORP. (US) 1990-02-13 US disclosed
US-4863957-A ANTICHOLESTEROL AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1989-09-05 US disclosed
WO-1989005639-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-06-29 WO disclosed