SCHEMBL4858205

SCHEMBL4858205

CC(=CNCc1ccccc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
RAB9A P51151 2/20 0.49
NR1H4 Q96RI1 5/20 0.46
EPHX2 P34913 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.43
KDM1A O60341 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ESRRG P62508 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4858208 0.79 GAA (0.43) LMNARAB9AALDH1A1HTTTDP1
SCHEMBL15428444 0.74 HCAR2 (0.50) LMNARAB9ANR1H4EPHX2ALDH1A1
SCHEMBL15428443 0.74 HCAR2 (0.50) LMNARAB9ANR1H4EPHX2ALDH1A1
SCHEMBL3278159 0.73 LMNA (0.68) LMNARAB9ANR1H4EPHX2ALDH1A1
SCHEMBL17213800 0.73 ADH1B (0.47) RAB9AALDH1A1TDP1MAPTKMT2A
SCHEMBL4742628 0.72 TP53 (0.42) LMNANR1H4EPHX2ALDH1A1MAPT
SCHEMBL627479 0.71 ADH1B (0.54) RAB9AALDH1A1TDP1MAPTKMT2A
SCHEMBL6567605 0.71 ALDH1A1 (0.47) LMNARAB9ANR1H4EPHX2ALDH1A1
SCHEMBL6567600 0.71 ALDH1A1 (0.47) LMNARAB9ANR1H4EPHX2ALDH1A1
SCHEMBL22307312 0.71 EPHX2 (0.47) LMNARAB9ANR1H4EPHX2ALDH1A1

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-2008096075-A2 METHOD FOR THE ASYMMETRIC HYDROGENATION OF ENAMINE AND DEVICE FOR REALISING SAID METHOD HOLIS TECHNOLOGIES (FR) 2008-08-14 WO disclosed