SCHEMBL18248508

SCHEMBL18248508

CCCCCCCCCCCCCCC(C(N)=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.53
▸ MMP9 P14780 2/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ ASAH1 Q13510 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ ACER2 Q5QJU3 1/20 0.48
▸ NAAA Q02083 2/20 0.48
▸ LMNA P02545 1/20 0.46
▸ CSNK1E P49674 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42

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
SCHEMBL4555669 1.00 EPHX1 (0.53) EPHX1MMP9MMP8MMP13ASAH1
SCHEMBL1404164 1.00 EPHX1 (0.53) EPHX1MMP9MMP8MMP13ASAH1
SCHEMBL21359023 1.00 EPHX1 (0.53) EPHX1MMP9MMP8MMP13ASAH1
SCHEMBL7642789 1.00 EPHX1 (0.53) EPHX1MMP9MMP8MMP13ASAH1
SCHEMBL8763769 1.00 EPHX1 (0.53) EPHX1MMP9MMP8MMP13ASAH1
SCHEMBL1945087 0.98 EPHX1 (0.54) EPHX1MMP9MMP8MMP13ASAH1
SCHEMBL528414 0.93 EPHX1 (0.56) EPHX1MMP9MMP8MMP13ASAH1
Hydrochloric Acid SCHEMBL31092601 0.92 EPHX1 (0.54) EPHX1MMP9MMP8MMP13ASAH1
SCHEMBL9395046 0.91 MMP9 (0.56) EPHX1MMP9MMP8MMP13LMNA
SCHEMBL675017 0.91 MMP9 (0.56) EPHX1MMP9MMP8MMP13LMNA

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
CN-107466265-A High-glossiness high-density polyethylene container 宝洁公司 2017-12-12 — — CN claimed
EP-3297621-A1 A METHOD FOR TREATING PERIPHERAL INFLAMMATORY DISEASE Dublin City University (IE) 2018-03-28 — — EP disclosed
WO-2016185025-A1 A METHOD FOR TREATING PERIPHERAL INFLAMMATORY DISEASE DUBLIN CITY UNIVERSITY (IE) 2016-11-24 — — WO disclosed
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