SCHEMBL10418994

SCHEMBL10418994

Brc1cccc2ccccc12.CN(C)C(=O)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NCEH1 Q6PIU2 7/20 0.47
▸ PKM P14618 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ NR4A1 P22736 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ NR4A3 Q92570 1/20 0.41
▸ PRNP P04156 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MMP9 P14780 1/20 0.40
▸ SLC9A1 P19634 1/20 0.40
▸ HTR2C P28335 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
Acetone SCHEMBL28388268 0.84 RXFP1 (0.47) MMP3HDAC8NR4A1NR4A2NR4A3
Acetic Acid SCHEMBL27521004 0.82 NR4A1 (0.50) MMP3HDAC8NR4A1NR4A2NR4A3
Methyl Alcohol SCHEMBL27338516 0.82 ALDH1A1 (0.48) SIGMAR1MMP3HDAC8NR4A1NR4A2
Urea SCHEMBL6165063 0.80 KDM4E (0.52) MMP3HDAC8NR4A1NR4A2NR4A3
SCHEMBL29405063 0.79 ALDH1A1 (0.53) MMP3HDAC8NR4A1NR4A2NR4A3
SCHEMBL69629 0.79 ALDH1A1 (0.53) MMP3HDAC8NR4A1NR4A2NR4A3
SCHEMBL8824112 0.79 ALDH1A1 (0.53) MMP3HDAC8NR4A1NR4A2NR4A3
SCHEMBL29903148 0.79 ALDH1A1 (0.53) MMP3HDAC8NR4A1NR4A2NR4A3
SCHEMBL29016506 0.78 RXFP1 (0.42) NCEH1PKMMMP3HDAC8NR4A1
Formaldehyde SCHEMBL27573587 0.78 ALDH1A1 (0.46) MMP3HDAC8NR4A1NR4A2NR4A3

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-0340262-A4 SEMI-PERMEABLE MEMBRANES WITH AN INTERNAL DISCRIMINATING REGION — 1990-09-26 — — EP disclosed
WO-1989004206-A1 SEMI-PERMEABLE MEMBRANES WITH AN INTERNAL DISCRIMINATING REGION THE DOW CHEMICAL COMPANY (US) 1989-05-18 — — WO disclosed
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