SCHEMBL9324164

SCHEMBL9324164

C=C(C)C(C(=O)CCCCCCCCCCCCCC)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ ACER2 Q5QJU3 1/20 0.48
▸ CES2 O00748 2/20 0.46
▸ CES1 P23141 2/20 0.46
▸ NAAA Q02083 2/20 0.44
▸ CERT1 Q9Y5P4 3/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL10890477 0.86 ASAH1 (0.52) ASAH1ALDH1A1ACER2CES2CES1
SCHEMBL28388648 0.84 ASAH1 (0.51) ASAH1ALDH1A1ACER2CES2CES1
SCHEMBL10887491 0.84 SRC (0.53) ASAH1ALDH1A1ACER2CES2CES1
SCHEMBL6472758 0.84 CES2 (0.40) ASAH1ALDH1A1ACER2CES2MEN1
SCHEMBL10457896 0.82 CES2 (0.54) ASAH1ALDH1A1ACER2CES2CES1
SCHEMBL9346529 0.82 CES2 (0.54) ASAH1ALDH1A1ACER2CES2CES1
SCHEMBL10871884 0.80 ASAH1 (0.52) ASAH1ALDH1A1ACER2CES2CES1
SCHEMBL9243918 0.79 TSHR (0.55) ALDH1A1
SCHEMBL1435948 0.79 ASAH1 (0.55) ASAH1ALDH1A1ACER2CES2CES1
SCHEMBL10893018 0.79 SRC (0.55) ASAH1ALDH1A1ACER2CES2CES1

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
EP-0404453-B1 Dimer reduction NOVA PETROCHEMICALS INC (CA) 1994-02-23 — — EP claimed
EP-0067067-B1 DRY-DEVELOPING NEGATIVE RESIST COMPOSITION FUJITSU LIMITED (JP) 1985-09-25 — — EP claimed
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