SCHEMBL7909110

SCHEMBL7909110

COC(=O)O[C@@H]1Cc2ccc(N)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MMP8 P22894 6/20 0.40
MMP3 P08254 4/20 0.40
GAA P10253 1/20 0.38
NR1H2 P55055 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA9 Q16790 2/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MMP9 P14780 2/20 0.36
MMP1 P03956 1/20 0.36

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
SCHEMBL6200513 0.84 ALDH1A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28972016 0.82 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9631764 0.81 MTNR1A (0.55) CA1CA2MTNR1AMTNR1B
SCHEMBL19775320 0.78 IDO1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29589235 0.78 IDO1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18989955 0.78 KMT2A (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7549934 0.75 MMP8 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6198196 0.75 CA1 (0.47) MMP8MMP3CA12CA1CA2
SCHEMBL6199831 0.75 CA1 (0.47) MMP8MMP3CA12CA1CA2
SCHEMBL4231484 0.75 CA1 (0.47) MMP8MMP3CA12CA1CA2

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-6197798-B1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN NOVARTIS AG (CH) 2001-03-06 US disclosed