SCHEMBL9694301

SCHEMBL9694301

O=C(C=Cc1ccc(O)c(CO)c1)CCCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.67
IAPP P10997 3/20 0.64
MMP2 P08253 4/20 0.53
MMP9 P14780 3/20 0.53
NFKB1 P19838 2/20 0.53
MMP8 P22894 1/20 0.53
APP P05067 2/20 0.49
AKR1B10 O60218 3/20 0.48
AKR1B1 P15121 3/20 0.48
TTR P02766 3/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
ALOX12 P18054 2/20 0.48
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MMP1 P03956 2/20 0.48
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL9695492 0.91 ALOX5 (0.58) ALOX5IAPPMMP2MMP9NFKB1
SCHEMBL8392957 0.87 IAPP (0.74) ALOX5IAPPMMP2MMP9NFKB1
SCHEMBL29489693 0.87 IAPP (0.74) ALOX5IAPPMMP2MMP9NFKB1
SCHEMBL8392954 0.87 IAPP (0.74) ALOX5IAPPMMP2MMP9NFKB1
SCHEMBL9535674 0.84 ALOX5 (0.49) ALOX5IAPPMMP2MMP9NFKB1
SCHEMBL9535670 0.84 ALOX5 (0.49) ALOX5IAPPMMP2MMP9NFKB1
SCHEMBL29689081 0.83 ALOX5 (0.67) ALOX5IAPPMMP2MMP9NFKB1
SCHEMBL14964001 0.83 ALOX5 (0.67) ALOX5IAPPMMP2MMP9NFKB1
SCHEMBL8847826 0.82 APP (0.72) ALOX5IAPPMMP2MMP9NFKB1
SCHEMBL8847830 0.82 APP (0.72) ALOX5IAPPMMP2MMP9NFKB1

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-5142095-A Treating inflammation, allergies, asthma, cardiovascular disorders, psoriasis WARNER-LAMBERT COMPANY (US) 1992-08-25 US claimed