SCHEMBL9237498

SCHEMBL9237498

CCCCCC=CCC(O)C=Cc1cccc(C=CCCCC(=O)O)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
LTB4R Q15722 3/20 0.59
KDM4E B2RXH2 3/20 0.59
NFKB1 P19838 2/20 0.59
CYP3A4 P08684 2/20 0.59
ALOX15 P16050 2/20 0.59
MAPT P10636 2/20 0.59
MTOR P42345 1/20 0.59
PMP22 Q01453 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP2C9 P11712 1/20 0.59
PLIN1 O60240 1/20 0.59
GAA P10253 1/20 0.59
MAPK1 P28482 1/20 0.59
PLIN5 Q00G26 1/20 0.59
ABHD5 Q8WTS1 1/20 0.59
OXER1 Q8TDS5 3/20 0.58
LTB4R2 Q9NPC1 1/20 0.53
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL9237925 1.00 ALDH1A1 (0.59) ALDH1A1LTB4RKDM4ENFKB1CYP3A4
SCHEMBL9233813 1.00 ALDH1A1 (0.59) ALDH1A1LTB4RKDM4ENFKB1CYP3A4
SCHEMBL9233814 1.00 ALDH1A1 (0.59) ALDH1A1LTB4RKDM4ENFKB1CYP3A4
SCHEMBL9238993 0.91 LTB4R (0.66) ALDH1A1LTB4RKDM4ENFKB1CYP3A4
SCHEMBL9238997 0.91 LTB4R (0.66) ALDH1A1LTB4RKDM4ENFKB1CYP3A4
SCHEMBL9239000 0.91 LTB4R (0.66) ALDH1A1LTB4RKDM4ENFKB1CYP3A4
SCHEMBL9232710 0.87 LTB4R (0.75) ALDH1A1LTB4RKDM4ENFKB1CYP3A4
SCHEMBL9237509 0.87 LTB4R (0.75) ALDH1A1LTB4RKDM4ENFKB1CYP3A4
SCHEMBL9232706 0.87 LTB4R (0.75) ALDH1A1LTB4RKDM4ENFKB1CYP3A4
SCHEMBL9235542 0.87 LTB4R (0.75) ALDH1A1LTB4RKDM4ENFKB1CYP3A4

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-0339046-B1 LEUKOTRIENE B 4 ANALOGS UPJOHN CO (US) 1995-02-15 EP claimed
EP-0339046-A1 LEUKOTRIENE B 4? ANALOGS. UPJOHN CO (US) 1989-11-02 EP claimed
WO-1988005045-A1 LEUKOTRIENE B4 ANALOGS THE UPJOHN COMPANY (US) 1988-07-14 WO claimed