SCHEMBL10357301

SCHEMBL10357301

O=C(NC1CCCc2c(O)cccc21)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
TAS1R3 Q7RTX0 9/20 0.65
TAS1R1 Q7RTX1 9/20 0.65
TAS1R2 Q8TE23 7/20 0.65
HSD17B2 P37059 1/20 0.56
LMNA P02545 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.51

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
SCHEMBL29771924 0.86 TAS1R3 (0.67) HTTTAS1R3TAS1R1TAS1R2HSD17B2
SCHEMBL10462960 0.82 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2HSD17B2
SCHEMBL10464517 0.81 HTT (0.60) HTTTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL2406255 0.80 HTT (1.00) HTTTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL5436807 0.80 HTT (1.00) HTTTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL10464516 0.79 PTGIR (0.58) HTTTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL701253 0.79 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2HSD17B2ALDH1A1
SCHEMBL10463186 0.78 HTT (0.55) HTTTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL4278160 0.77 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2HSD17B2
SCHEMBL10463185 0.77 TAS1R3 (0.56) HTTTAS1R3TAS1R1TAS1R2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253257-B1 SUBSTITUTED AMINO-5,6,7,8-TETRAHYDRONAPHTHYL-OXYACETIC ACIDS, METHOD FOR THEIR PREPARATION AND THEIR APPLICATION AS MEDICAMENTS BAYER AG (DE) 1990-11-14 EP disclosed
US-4921998-A ANTICOAGULANTS, ANTIISCHEMIC AGENTS, ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
US-4868331-A ANTICOAGULANTS, ANTIATHEROSCLEROTIC, ANTIISCHEMIC BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed
EP-0253257-A2 Substituted amino-5,6,7,8-tetrahydronaphthyl-oxyacetic acids, method for their preparation and their application as medicaments BAYER AG (DE) 1988-01-20 EP disclosed