SCHEMBL11869262

SCHEMBL11869262

CCCCC(CC)COCCCOP(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
ALDH1A1 P00352 6/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 3/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
LTA4H P09960 2/20 0.35

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
SCHEMBL269427 0.86 ALDH1A1 (0.48) CYP3A4ALDH1A1CA2LMNAPRSS1
SCHEMBL21436765 0.85 ALDH1A1 (0.47) CYP3A4ALDH1A1CA2LMNAPRSS1
SCHEMBL30308949 0.84 CYP3A4 (0.55) CYP3A4ALDH1A1CA2LMNAMMP9
SCHEMBL4011150 0.84 ALDH1A1 (0.48) CYP3A4ALDH1A1CA2LMNAPRSS1
SCHEMBL28646685 0.83 ALDH1A1 (0.48) CYP3A4ALDH1A1CA2LMNAPRSS1
SCHEMBL430999 0.79 LTA4H (0.53) CYP3A4ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL19924884 0.78 PRSS1 (0.40) CYP3A4ALDH1A1CA2LMNAPRSS1
SCHEMBL22710209 0.78 LTA4H (0.51) CYP3A4ALDH1A1CA2LMNAPRSS1
SCHEMBL1726211 0.77 LTA4H (0.53) CYP3A4ALDH1A1LMNAMAPK1LTA4H
SCHEMBL6471180 0.77 PRSS1 (0.36) CYP3A4ALDH1A1CA2LMNAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3933733-A Phosphite stabilized polyvinyl chloride containing resins KYODO CHEMICAL COMPANY, LIMITED (JA) 1976-01-20 US claimed
US-3933733-A Phosphite stabilized polyvinyl chloride containing resins KYODO CHEMICAL COMPANY, LIMITED (JA) 1976-01-20 US disclosed