SCHEMBL9469153

SCHEMBL9469153

CCOC(=O)CCCCOc1ccccc1I

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
LTA4H P09960 4/20 0.45
TBXAS1 P24557 2/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDK2 Q15119 1/20 0.45
PPARG P37231 1/20 0.44
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9469479 0.95 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1TDP1LTA4H
SCHEMBL9470150 0.82 LMNA (0.52) CYP4F2CYP4A11ALDH1A1TDP1LTA4H
SCHEMBL9470154 0.82 LMNA (0.52) CYP4F2CYP4A11ALDH1A1TDP1LTA4H
SCHEMBL1549121 0.81 USP2 (0.58) ALDH1A1SMN1; SMN2USP2L3MBTL1
SCHEMBL8158041 0.81 PPARG (0.58) CYP4F2CYP4A11ALDH1A1TDP1LTA4H
SCHEMBL3956777 0.81 PPARG (0.49) CYP4F2CYP4A11ALDH1A1TDP1LTA4H
SCHEMBL3956764 0.81 PPARG (0.49) CYP4F2CYP4A11ALDH1A1TDP1LTA4H
SCHEMBL14298119 0.81 L3MBTL1 (0.60) CYP4F2CYP4A11ALDH1A1TDP1CYP1A2
SCHEMBL10745866 0.81 ALDH1A1 (0.56) CYP4F2CYP4A11ALDH1A1LTA4HSMN1; SMN2
SCHEMBL29213722 0.80 TDP1 (0.64) ALDH1A1TDP1CYP1A2CYP3A4CYP2C19

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-5183925-A LEUKOTRIENE-B4 DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-02-02 US disclosed