SCHEMBL9136459

SCHEMBL9136459

CC(O[C]=O)OC(=O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
FAAH O00519 5/20 0.48
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.45
KMT2A Q03164 3/20 0.44
KEAP1 Q14145 1/20 0.44
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
ACE P12821 1/20 0.42
FFAR1 O14842 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 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
SCHEMBL9139288 0.91 FAAH (0.50) TDP1FAAHKMT2ARAB9A
SCHEMBL8847851 0.84 TSHR (0.65) FAAHALDH1A1TSHR
SCHEMBL3183513 0.80 TSHR (0.68) TDP1FAAHALDH1A1TSHRKMT2A
SCHEMBL8848165 0.79 HCAR2 (0.43) TDP1ALDH1A1TSHRRAB9A
SCHEMBL27540219 0.79 TSHR (0.66) TDP1FAAHALDH1A1TSHRKMT2A
SCHEMBL9136464 0.79 TDP1 (0.51) TDP1FAAHALDH1A1TSHRKMT2A
SCHEMBL22474206 0.78 TDP1 (0.58) TDP1FAAHALDH1A1TSHRKMT2A
SCHEMBL27579434 0.78 TDP1 (0.58) TDP1FAAHALDH1A1TSHRKMT2A
SCHEMBL7438421 0.77 LMNA (0.50) ALDH1A1KMT2ARAB9AMAPT
SCHEMBL8847909 0.76 FFAR1 (0.44) ALDH1A1TSHRRAB9AFFAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459147-A Angeotensin-antagonistic effects; hypotensive, antiischemic, and antidiabetic agents, treating glaucoma DR. KARL THOMAE GMBH (DE) 1995-10-17 US disclosed
EP-0560330-A2 Substituted benzimidazolyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-09-15 EP disclosed