SCHEMBL9118767

SCHEMBL9118767

COC(=O)CCc1ccccc1CCCCCCO

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.50
CYP4A11 Q02928 4/20 0.50
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL9119417 1.00 CYP4F2 (0.50) CYP4F2CYP4A11TSHRTDP1ALDH1A1
SCHEMBL27261890 0.87 LIPG (0.51) CYP4F2CYP4A11ALDH1A1
SCHEMBL22954711 0.86 CYP4F2 (0.56) CYP4F2CYP4A11TSHRTDP1ALDH1A1
SCHEMBL10438855 0.86 CYP4F2 (0.58) CYP4F2CYP4A11TSHRTDP1ALDH1A1
SCHEMBL9120993 0.86 CYP4F2 (0.46) CYP4F2CYP4A11TSHRTDP1ALDH1A1
SCHEMBL9120258 0.85 CYP4F2 (0.46) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL11723225 0.84 CYP4F2 (0.70) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL9122500 0.84 PPARD (0.53) ALDH1A1
SCHEMBL31076144 0.83 CYP4F2 (0.53) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL5561929 0.83 CYP4F2 (0.53) CYP4F2CYP4A11TSHRALDH1A1LMNA

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-5434186-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1995-07-18 US disclosed
US-5273999-A A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0531823-A1 Bicyclic carboxylic acid derivatives as anti-inflammatory agents F. HOFFMANN-LA ROCHE AG (CH) 1993-03-17 EP disclosed