SCHEMBL9238993

SCHEMBL9238993

CCCC/C=C/c1cccc(/C=C/C(O)C/C=C/CCCCC)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.66
ALDH1A1 P00352 3/20 0.66
NFKB1 P19838 2/20 0.66
MTOR P42345 1/20 0.66
PMP22 Q01453 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
ALOX15 P16050 1/20 0.66
KDM4E B2RXH2 1/20 0.66
PLIN1 O60240 1/20 0.66
GAA P10253 1/20 0.66
MAPT P10636 1/20 0.66
MAPK1 P28482 1/20 0.66
PLIN5 Q00G26 1/20 0.66
ABHD5 Q8WTS1 1/20 0.66
OXER1 Q8TDS5 3/20 0.43
LTB4R2 Q9NPC1 1/20 0.41
FAAH O00519 4/20 0.38
NFKB2 Q00653 1/20 0.37

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
SCHEMBL9238997 1.00 LTB4R (0.66) LTB4RALDH1A1NFKB1MTORPMP22
SCHEMBL9239000 1.00 LTB4R (0.66) LTB4RALDH1A1NFKB1MTORPMP22
SCHEMBL9237510 0.94 LTB4R (0.75) LTB4RALDH1A1NFKB1MTORPMP22
SCHEMBL9237509 0.94 LTB4R (0.75) LTB4RALDH1A1NFKB1MTORPMP22
SCHEMBL9232710 0.94 LTB4R (0.75) LTB4RALDH1A1NFKB1MTORPMP22
SCHEMBL9235542 0.94 LTB4R (0.75) LTB4RALDH1A1NFKB1MTORPMP22
SCHEMBL9232706 0.94 LTB4R (0.75) LTB4RALDH1A1NFKB1MTORPMP22
SCHEMBL9232465 0.94 LTB4R (0.75) LTB4RALDH1A1NFKB1MTORPMP22
SCHEMBL9233814 0.91 ALDH1A1 (0.59) LTB4RALDH1A1NFKB1MTORPMP22
SCHEMBL9237498 0.91 ALDH1A1 (0.59) LTB4RALDH1A1NFKB1MTORPMP22

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 7 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
EP-0339046-B1 LEUKOTRIENE B 4 ANALOGS UPJOHN CO (US) 1995-02-15 EP disclosed
US-5116981-A Antiinflammatory leukotriene B4 analogs THE UPJOHN COMPANY (US) 1992-05-26 US disclosed
EP-0339046-A1 LEUKOTRIENE B 4? ANALOGS. UPJOHN CO (US) 1989-11-02 EP disclosed
WO-1988005045-A1 LEUKOTRIENE B4 ANALOGS THE UPJOHN COMPANY (US) 1988-07-14 WO disclosed