SCHEMBL104152

SCHEMBL104152

COC(=O)c1ccc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 3/20 0.43
GAA P10253 3/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
GPR119 Q8TDV5 1/20 0.41
HDAC1 Q13547 4/20 0.41
ALOX15 P16050 2/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39

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
SCHEMBL103741 0.87 GPR119 (0.41) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL3602135 0.85 KDM4E (0.55) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL105500 0.84 SMARCA2 (0.55) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL16549837 0.84 GPR119 (0.39) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL103405 0.84 KMT2A (0.46) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL16549836 0.84 GPR119 (0.39) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL2683352 0.77 HDAC1 (0.49) KDM4ENPC1RAB9AMAPTGPR119
SCHEMBL18186390 0.77 GPR119 (0.43) ALDH1A1MAPTSMN1; SMN2GPR119HDAC1
SCHEMBL13419749 0.77 GPR119 (0.43) ALDH1A1MAPTSMN1; SMN2GPR119HDAC1
SCHEMBL28028631 0.76 KDM4E (0.52) KDM4ENPC1ALDH1A1HPGDRAB9A

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
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed