SCHEMBL3703931

SCHEMBL3703931

CCC1=C(OC(=O)OC)C(CC(C)C)CC(=O)N1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.32
MME P08473 1/20 0.32
GLA P06280 1/20 0.31
POLB P06746 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
SCHEMBL830786 0.82 FFAR3 (0.40) FFAR3MMEGLAPOLB
SCHEMBL3708335 0.74 ADORA2B (0.34)
SCHEMBL886958 0.67 GLA (0.47) MMEGLA
SCHEMBL831210 0.67 ADORA2B (0.49) GLAPOLB
SCHEMBL833090 0.62 ADORA2B (0.44) POLB
SCHEMBL2019434 0.60 CRBN (0.52) GLA
SCHEMBL2691336 0.58
SCHEMBL6871170 0.57 SMN1; SMN2 (0.41)
SCHEMBL756451 0.57 CRBN (0.38) GLA
SCHEMBL3635351 0.56 GLA (0.46) GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197846-A1 SUBSTITUTED 6-PHEYLNICOTINIC ACIDS AND THE USE THEREOF Bayer Animal Health GmbH (DE) 2010-06-23 EP disclosed
WO-2009033561-A1 SUBSTITUTED 6-PHEYLNICOTINIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 WO disclosed