SCHEMBL9712813

SCHEMBL9712813

C[CH]C(=O)Nc1ccccc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
HPGD P15428 5/20 0.64
ALDH1A1 P00352 3/20 0.64
MMP1 P03956 4/20 0.64
MMP2 P08253 4/20 0.64
MMP9 P14780 4/20 0.64
EGFR P00533 1/20 0.64
POLB P06746 2/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
ALOX12 P18054 1/20 0.55
HTT P42858 2/20 0.53
EPHX1 P07099 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
DDX3X O00571 1/20 0.53

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
SCHEMBL7622299 0.86 MMP1 (0.68) NPC1RAB9AHPGDALDH1A1MMP1
SCHEMBL7622295 0.86 MMP1 (0.68) NPC1RAB9AHPGDALDH1A1MMP1
SCHEMBL27479697 0.86 NPC1 (0.64) NPC1RAB9AHPGDALDH1A1MMP1
SCHEMBL648951 0.84 NPC1 (0.62) NPC1RAB9AHPGDALDH1A1MMP1
SCHEMBL26640096 0.84 NPC1 (0.62) NPC1RAB9AHPGDALDH1A1MMP1
SCHEMBL23306418 0.82 MMP1 (0.68) NPC1RAB9AHPGDALDH1A1MMP1
SCHEMBL5766105 0.82 HPGD (0.63) NPC1RAB9AHPGDALDH1A1MMP1
SCHEMBL9360564 0.81 MMP1 (0.71) NPC1RAB9AHPGDALDH1A1MMP1
SCHEMBL5176479 0.81 MMP1 (0.71) NPC1RAB9AHPGDALDH1A1MMP1
SCHEMBL29451127 0.81 HPGD (0.62) NPC1RAB9AHPGDALDH1A1MMP1

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-0152379-A2 Process for preparing pharmaceutical compositions containing unilamellar liposomes CIBA-GEIGY AG (CH) 1985-08-21 EP claimed
US-5081287-A Pesticidal polyhalo alkenoic acid esters FMC CORPORATION (US) 1992-01-14 US disclosed
EP-0152379-A2 Process for preparing pharmaceutical compositions containing unilamellar liposomes CIBA-GEIGY AG (CH) 1985-08-21 EP disclosed