SCHEMBL8474276

SCHEMBL8474276

Cc1c(CCO)[c]c(-c2ccccc2)c(C)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
TSHR P16473 1/20 0.34
GCGR P47871 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31
MAPK1 P28482 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
SCHEMBL8479336 0.87 GCGR (0.31) GCGR
SCHEMBL8481067 0.85 GCGR (0.33) TSHRGCGRALDH1A1HPGDHSD17B10
SCHEMBL8480091 0.82 PTGS2 (0.47) GAAMAPK1
SCHEMBL8477832 0.81 TP53 (0.34) PDCD1CD274GCGRALDH1A1HPGD
SCHEMBL8479563 0.77 CYP4F2 (0.42) TDP1HPGDGAAMAPK1
SCHEMBL8479432 0.75 GCGR (0.41) TDP1GCGRALDH1A1HPGDHSD17B10
SCHEMBL8477304 0.74 PDCD1 (0.38) TDP1PDCD1CD274TSHRGCGR
SCHEMBL8476215 0.74 PDE4B (0.42) TDP1ALDH1A1HPGDHSD17B10GAA
SCHEMBL8481471 0.74 PDE4B (0.46) TDP1ALDH1A1HPGDHSD17B10GAA
SCHEMBL8481612 0.73 MAPT (0.35) ALDH1A1HSD17B10GAA

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
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed