SCHEMBL903100

SCHEMBL903100

Cc1c[nH]c(C2CC=CC3=C2C=CCC3)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41

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
SCHEMBL470472 0.70 NOTUM (0.42) NOTUM
SCHEMBL903101 0.68 NOTUM (0.41) NOTUM
SCHEMBL1082810 0.60 NOTUM (1.00) NOTUM
SCHEMBL27409174 0.58 NOTUM (0.59) NOTUM
SCHEMBL11860616 0.56 NOTUM (0.61) NOTUM
SCHEMBL4585396 0.56 NOTUM (0.61) NOTUM
SCHEMBL23499074 0.55 ALDH1A1 (0.42)
SCHEMBL13270367 0.54 PYGM (0.35)
SCHEMBL7626522 0.54 MAPT (0.32) NOTUM
SCHEMBL12334109 0.54

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-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed