SCHEMBL8084261

SCHEMBL8084261

C=CC=CCNCC=CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
GABRR1 P24046 2/20 0.38
GABRR2 P28476 2/20 0.38
BLM P54132 2/20 0.38
LMNA P02545 2/20 0.38
GABRR3 A8MPY1 1/20 0.38
APEX1 P27695 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32

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
SCHEMBL8530023 1.00 TSHR (0.38) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL8084257 1.00 TSHR (0.38) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL585109 0.84 TSHR (0.50) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL585108 0.84 TSHR (0.50) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL8533019 0.78 CNR2 (0.38) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL8091033 0.78 CNR2 (0.38) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL8091035 0.78 CNR2 (0.38) TSHRGABRR1GABRR2BLMLMNA
SCHEMBL12594514 0.77 ABCC4 (0.34)
SCHEMBL8206235 0.74 MAPT (0.47) LMNANPSR1TP53
SCHEMBL4344531 0.72 PTPN1 (0.43) TSHRGABRR1GABRR2BLMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed
US-5508278-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed