SCHEMBL13755322

SCHEMBL13755322

Cc1cc(C)c(NC(=O)/C=C/c2ccccc2)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 7/20 0.63
▸ MMP2 P08253 7/20 0.63
▸ MMP9 P14780 7/20 0.63
▸ EGFR P00533 6/20 0.63
▸ MAOA P21397 3/20 0.62
▸ MAOB P27338 2/20 0.62
▸ MAPT P10636 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ TP53 P04637 1/20 0.58
▸ KMT2A Q03164 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ CRHBP P24387 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MITF O75030 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ MDM2 Q00987 1/20 0.55

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
SCHEMBL28449565 0.87 MMP1 (0.71) MMP1MMP2MMP9EGFRMAOA
SCHEMBL28449561 0.87 MMP1 (0.71) MMP1MMP2MMP9EGFRMAOA
SCHEMBL10492396 0.81 MMP1 (0.77) MMP1MMP2MMP9EGFRMAOA
SCHEMBL10492394 0.81 MMP1 (0.77) MMP1MMP2MMP9EGFRMAOA
SCHEMBL6885772 0.78 ALDH1A1 (0.79) MAPTSMN1; SMN2KMT2ALMNAGAA
SCHEMBL6885764 0.78 ALDH1A1 (0.79) MAPTSMN1; SMN2KMT2ALMNAGAA
N-O-Tolylcinnamamide SCHEMBL15902545 0.78 MMP1 (1.00) MMP1MMP2MMP9EGFRMAOA
N-P-Tolylcinnamamide SCHEMBL1603280 0.78 MMP1 (1.00) MMP1MMP2MMP9EGFRMAOA
N-O-Tolylcinnamamide SCHEMBL2593754 0.78 MMP1 (1.00) MMP1MMP2MMP9EGFRMAOA
N-O-Tolylcinnamamide SCHEMBL2593756 0.78 MMP1 (1.00) MMP1MMP2MMP9EGFRMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7575926-B1 Method of identification of compounds effective against suppressed cancer cells THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2009-08-18 — — US disclosed
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