SCHEMBL7798739

SCHEMBL7798739

CCCCCCCCCCCCCCCCCC(=O)n1ccnc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ SQOR Q9Y6N5 2/20 0.44
▸ NAAA Q02083 2/20 0.43
▸ FAAH O00519 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CES2 O00748 3/20 0.39
▸ CES1 P23141 3/20 0.39
▸ ELANE P08246 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ PLA2G5 P39877 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL13092479 1.00 ALDH1A1 (0.46) ALDH1A1KMT2APOLBSQORNAAA
SCHEMBL7798763 0.91 FAAH (0.50) ALDH1A1KMT2APOLBFAAHCES1
SCHEMBL13092480 0.84 TLR8 (0.49) ALDH1A1KMT2APOLBSQORNAAA
SCHEMBL6225060 0.81 KDM4E (0.43) ALDH1A1KMT2APOLBFAAHCYP1A2
Octadecanoic Acid Amide SCHEMBL6225063 0.81 KDM4E (0.43) ALDH1A1KMT2APOLBFAAHCYP1A2
SCHEMBL725554 0.79 ESR1 (0.49) POLBFAAHCES2CES1ELANE
SCHEMBL13134140 0.78 ALDH1A1 (0.41) ALDH1A1KMT2APOLBCYP1A2CYP3A4
Bromide SCHEMBL28337906 0.77 ALDH1A1 (0.40) ALDH1A1KMT2APOLBCYP1A2CYP3A4
SCHEMBL6225068 0.76 ASAH1 (0.54) SQORCYP3A4CYP2D6
Octanoic Acid SCHEMBL25272938 0.75 ALDH1A1 (0.53) ALDH1A1KMT2APOLBMEN1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8057848-A — — None — — JP disclosed
EP-0824144-B1 Aqueous working liquid composition for wire saw NIPPEI TOYAMA CORP (JP) 2001-12-12 — — EP disclosed
US-5817711-A Aqueous working liquid composition for wire saw NIPPEI TOYAMA CORPORATION (JP) 1998-10-06 — — US disclosed
EP-0824144-A1 Aqueous working liquid composition for wire saw Nippei Toyama Corporation (JP) 1998-02-18 — — EP disclosed
JP-H0857848-A CUTTING LIQUID, ITS MANUFACTURE AND CUTTING METHOD OF INGOT SHIN ETSU HANDOTAI CO LTD 1996-03-05 — — JP disclosed
JP-H00857848-A — — 0001-01-01 — — JP disclosed
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