SCHEMBL10906239

SCHEMBL10906239

CN(CCC(=O)O)c1ccc(C(=O)c2ccc(N(C)CCC(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
MMP14 P50281 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SRD5A2 P31213 3/20 0.40
PPARA Q07869 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10951350 0.98 HPGD (0.52) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL10905254 0.89 MMP14 (0.55) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL10906746 0.89 RAB9A (0.52) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL10905310 0.88 MMP14 (0.50) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL10907582 0.86 MMP14 (0.49) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL10422235 0.85 HPGD (0.57) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL13688687 0.83 KMT2A (0.48) ALDH1A1RAB9AMMP14L3MBTL1KMT2A
SCHEMBL2637695 0.82 TP53 (0.47) ALDH1A1MMP14L3MBTL1KMT2ASMN1; SMN2
SCHEMBL10951340 0.82 HPGD (0.50) HPGDALDH1A1MAPTRAB9ANPC1
SCHEMBL8943640 0.81 MMP14 (0.43) ALDH1A1MAPTMMP14L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4576975-A Water soluble Michler's ketone analogs in combined photoinitiator composition and polymerizable composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-03-18 US disclosed
US-4511646-A Ethylenically-unsaturated dextrin composition for preparing a durable hydrophilic photopolymer MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-04-16 US disclosed
US-4507497-A PHOTOPOLYMERIZATION INITIATOR MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-03-26 US disclosed
US-4507382-A Water developable positive acting lithographic printing plate MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-03-26 US disclosed
US-4451613-A Ethylenically-unsaturated dextrin oligomers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-05-29 US disclosed