SCHEMBL10595115

SCHEMBL10595115

CCCCCCOCCC1COCC1CCCCCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
PPARG P37231 9/20 0.46
PPARD Q03181 8/20 0.46
PPARA Q07869 8/20 0.46
GPR84 Q9NQS5 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
PTPN1 P18031 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
PDE4A P27815 1/20 0.46
PDE3A Q14432 1/20 0.46

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
SCHEMBL10595117 1.00 ALOX5 (0.54) ALOX5PPARGPPARDPPARAGPR84
SCHEMBL10595426 0.91 ALOX5 (0.52) ALOX5PPARGPPARDPPARAGPR84
SCHEMBL10595431 0.91 ALOX5 (0.52) ALOX5PPARGPPARDPPARAGPR84
SCHEMBL11513898 0.89 ALOX5 (0.67) ALOX5PPARGPPARDPPARAGPR84
SCHEMBL10980014 0.84 TOP1 (0.48) ALOX5PPARGPPARDPPARAPTPN1
SCHEMBL10596324 0.84 TOP1 (0.48) ALOX5PPARGPPARDPPARAPTPN1
SCHEMBL10594110 0.84 TOP1 (0.48) PPARGPPARDPPARAPTPN1TDP1
SCHEMBL10594014 0.84 TOP1 (0.48) PPARGPPARDPPARAPTPN1TDP1
SCHEMBL10594944 0.84 KDM5A (0.44) ALOX5TSHRALDH1A1TDP1KMT2A
SCHEMBL10594948 0.84 KDM5A (0.44) ALOX5TSHRALDH1A1TDP1KMT2A

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-0161904-B1 TETRAHYDROFURANYL AND TETRAHYDROTHIENYL SUBSTITUTED ETHERS E.R. Squibb & Sons, Inc. (US) 1989-10-18 EP disclosed
EP-0161904-A2 Tetrahydrofuranyl and tetrahydrothienyl substituted ethers E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed
US-4521539-A ANALGESICS, CARDIONVASCULAR AND ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-06-04 US disclosed