SCHEMBL19002971

SCHEMBL19002971

CC1(C)CB(c2ccc(=O)n(CC3CCC3)c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BMPR1A P36894 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
PARG Q86W56 3/20 0.33
CYP11B2 P19099 1/20 0.31
MAP4K1 Q92918 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL16464597 0.83 BMPR1A (0.38) BMPR1AACVRL1ACVR1CYP11B2
SCHEMBL19003060 0.81 LPL (0.31)
SCHEMBL14719343 0.77 LPL (0.38) BMPR1AACVRL1ACVR1CYP11B2
SCHEMBL19002979 0.76 BMPR1B (0.32) BMPR1AACVRL1ACVR1
SCHEMBL16464267 0.70 LPL (0.36)
SCHEMBL19521369 0.67 FFAR1 (0.39) BMPR1AACVRL1ACVR1CYP11B2MAP4K1
SCHEMBL24583674 0.66 MAPT (0.49) BMPR1AACVRL1ACVR1CYP11B2MAP4K1
SCHEMBL16465276 0.66 BMPR1A (0.41) BMPR1AACVRL1ACVR1
SCHEMBL23638476 0.65 CNR1 (0.37) PARG
SCHEMBL22308284 0.65 CYP2A6 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906539-B1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES HIVIH (FR) 2017-06-21 EP disclosed