SCHEMBL4327640

SCHEMBL4327640

CC(C)N(C)C(=O)[CH]Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ARG2 P78540 1/20 0.38
FPR1 P21462 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOB P27338 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
SCHEMBL27841533 0.82 NPC1 (0.44) MEN1KMT2ATSHRNPC1RAB9A
SCHEMBL4064685 0.77 ALDH1A1 (0.46) KMT2ATSHRNPC1RAB9ACA12
SCHEMBL4064579 0.77 NPC1 (0.58) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL3136211 0.76 NPC1 (0.40) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL442434 0.75 MAOB (0.52) MEN1KMT2ATSHRNPC1RAB9A
SCHEMBL10872465 0.74 TSHR (0.43) MEN1KMT2ATSHRNPC1RAB9A
SCHEMBL5053649 0.73 TSHR (0.52) MEN1KMT2AHPGDTSHRNPC1
SCHEMBL27919356 0.71 ALPI (0.44) TSHRNPC1RAB9AMAOB
SCHEMBL10872818 0.71 ALDH1A1 (0.44) MEN1KMT2AHPGDTSHRNPC1
SCHEMBL3244969 0.71 ALDH1A1 (0.48) HPGDTSHRALDH1A1CA1CA2

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
WO-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed