SCHEMBL10373609

SCHEMBL10373609

COC(=O)COc1c(C(=O)O)cccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.45
▸ FABP3 P05413 1/20 0.44
▸ FABP4 P15090 1/20 0.44
▸ FABP5 Q01469 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ FAAH O00519 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ACLY P53396 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 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
SCHEMBL18705315 0.85 PTPN1 (0.47) HNF4ANR1H4FABP3FABP4FABP5
SCHEMBL5156328 0.82 HNF4A (0.53) HNF4ANR1H4FABP3FABP4FABP5
SCHEMBL11340527 0.80 HNF4A (0.54) HNF4ANR1H4FABP3FABP4FABP5
SCHEMBL30394743 0.80 HNF4A (0.58) HNF4ANR1H4FABP3FABP4FABP5
SCHEMBL4632581 0.80 HNF4A (0.58) HNF4ANR1H4FABP3FABP4FABP5
SCHEMBL5149360 0.79 HNF4A (0.50) HNF4ANR1H4FABP3FABP4FABP5
SCHEMBL10375122 0.79 HTT (0.47) FABP3FABP4FABP5ALDH1A1KDM4E
SCHEMBL17799595 0.79 HNF4A (0.56) HNF4ANR1H4FABP3FABP4FABP5
SCHEMBL11511175 0.78 PTPN11 (0.54) HNF4AKDM4EKMT2AMEN1L3MBTL1
SCHEMBL8797209 0.78 PTGER1 (0.55) HNF4AALDH1A1

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
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 — — EP disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 — — US disclosed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 — — EP disclosed
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