SCHEMBL21637895

SCHEMBL21637895

CC(=O)N1C2CCC1c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.44
CREBBP Q92793 1/20 0.43
POLB P06746 2/20 0.40
FFAR2 O15552 6/20 0.39
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL23611631 0.81 FFAR2 (0.43) FFAR2
SCHEMBL12533357 0.81 MAOB (0.39) NOTUMCREBBPFFAR2MAOBSMN1; SMN2
SCHEMBL18711628 0.76 SPR (0.44) NOTUMCREBBPPOLBMAOB
SCHEMBL13116614 0.75 TERT (0.46) FFAR2
SCHEMBL13137753 0.74 GPR119 (0.47) PKM
SCHEMBL10856406 0.74 NOTUM (0.43) NOTUMCREBBPPOLBSMN1; SMN2
SCHEMBL24102467 0.74 FFAR2 (0.55) FFAR2
SCHEMBL24102463 0.74 FFAR2 (0.55) FFAR2
SCHEMBL23611546 0.73 CYP3A4 (0.46) FFAR2SMN1; SMN2
SCHEMBL23611571 0.73 CYP3A4 (0.46) FFAR2SMN1; SMN2

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
WO-2020018434-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK SCRIPPS HEALTH (US) 2020-01-23 WO disclosed