SCHEMBL25197868

SCHEMBL25197868

CC(=O)OCCCC/C=C/c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
TBXAS1 P24557 1/20 0.43
GLA P06280 1/20 0.43
PPARA Q07869 1/20 0.43
NAAA Q02083 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PTGS2 P35354 1/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 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
SCHEMBL2734711 1.00 PAM (0.46) PAMTDP1LTB4RLTB4R2TBXAS1
SCHEMBL24450098 0.89 NAAA (0.51) PAMTDP1GLAPPARANAAA
SCHEMBL27211900 0.88 TDP1 (0.47) PAMTDP1GLAPPARAALDH1A1
SCHEMBL141230 0.85 TDP1 (0.49) PAMTDP1LTB4RLTB4R2TBXAS1
SCHEMBL27211827 0.85 TDP1 (0.49) PAMTDP1GLAALDH1A1AKR1B10
SCHEMBL27211775 0.85 TDP1 (0.49) PAMTDP1GLAALDH1A1AKR1B10
SCHEMBL27211734 0.85 TDP1 (0.49) PAMTDP1GLAALDH1A1AKR1B10
SCHEMBL2164917 0.84 AKR1B10 (0.55) PAMTBXAS1PPARANAAAALDH1A1
SCHEMBL1930529 0.84 TDP1 (0.51) PAMTDP1LTB4RLTB4R2TBXAS1
SCHEMBL67824 0.82 TSHR (0.51) PAMTDP1LTB4RLTB4R2TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151128-A1 NEAR INFRARED (NIR) LIGHT CONTROLLED RUTHENIUM CATALYZED OLEFIN METATHESIS NATIONAL SCIENCE FOUNDATION 2023-05-18 US disclosed