SCHEMBL7622299

SCHEMBL7622299

CC=CC(=O)Nc1ccccc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.68
MMP2 P08253 4/20 0.68
MMP9 P14780 4/20 0.68
EGFR P00533 1/20 0.68
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
HPGD P15428 3/20 0.58
ALDH1A1 P00352 3/20 0.58
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
XBP1 P17861 1/20 0.51
KMT2A Q03164 1/20 0.51
TLR9 Q9NR96 1/20 0.51
ALOX12 P18054 1/20 0.50
GAA P10253 1/20 0.50
EPHX1 P07099 1/20 0.49

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
SCHEMBL7622295 1.00 MMP1 (0.68) MMP1MMP2MMP9EGFRNPC1
SCHEMBL9712813 0.86 NPC1 (0.67) MMP1MMP2MMP9EGFRNPC1
SCHEMBL23306418 0.85 MMP1 (0.68) MMP1MMP2MMP9EGFRNPC1
SCHEMBL5176479 0.84 MMP1 (0.71) MMP1MMP2MMP9EGFRNPC1
SCHEMBL30764071 0.84 MMP1 (0.71) MMP1MMP2MMP9EGFRNPC1
SCHEMBL9360564 0.84 MMP1 (0.71) MMP1MMP2MMP9EGFRNPC1
SCHEMBL5177399 0.84 MMP1 (0.71) MMP1MMP2MMP9EGFRNPC1
SCHEMBL28884330 0.82 ALDH1A1 (0.65) MMP1MMP2MMP9EGFRNPC1
SCHEMBL5175949 0.81 MMP1 (0.65) MMP1MMP2MMP9EGFRNPC1
SCHEMBL12189827 0.81 MMP1 (0.65) MMP1MMP2MMP9EGFRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719149-B1 ANTI-FUNGICIDAL DERMATOCOSMETIC COMPOSITION FABRE PIERRE DERMO COSMETIQUE (FR) 2002-07-31 EP disclosed
EP-0719149-A1 ANTI-FUNGICIDAL DERMATOCOSMETIC COMPOSITION Pierre Fabre Dermo-Cosmetique (FR) 1996-07-03 EP disclosed
WO-1995007702-A1 ANTI-FUNGICIDAL DERMATOCOSMETIC COMPOSITION PIERRE FABRE DERMO-COSMETIQUE (FR) 1995-03-23 WO disclosed