SCHEMBL105500

SCHEMBL105500

COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.55
SMARCA4 P51532 1/20 0.55
PBRM1 Q86U86 1/20 0.55
NPC1 O15118 3/20 0.55
KDM4E B2RXH2 3/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SETD7 Q8WTS6 1/20 0.42
GPR119 Q8TDV5 10/20 0.42
NR1H2 P55055 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 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
SCHEMBL3596569 0.86 KDM4E (0.57) SMARCA2SMARCA4PBRM1NPC1KDM4E
SCHEMBL3596565 0.86 KDM4E (0.57) SMARCA2SMARCA4PBRM1NPC1KDM4E
SCHEMBL104152 0.84 KDM4E (0.53) SMARCA2SMARCA4PBRM1NPC1KDM4E
SCHEMBL103728 0.84 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1NPC1KDM4E
SCHEMBL102309 0.84 MEN1 (0.48) SMARCA2SMARCA4PBRM1KDM4EALDH1A1
SCHEMBL28593829 0.83 GPR119 (0.49) SMARCA2SMARCA4PBRM1KDM4EALDH1A1
SCHEMBL28593831 0.83 GPR119 (0.49) SMARCA2SMARCA4PBRM1KDM4EALDH1A1
SCHEMBL103154 0.83 KDM4E (0.67) SMARCA2SMARCA4PBRM1NPC1KDM4E
SCHEMBL31615949 0.83 KDM4E (0.67) SMARCA2SMARCA4PBRM1NPC1KDM4E
SCHEMBL28028631 0.81 KDM4E (0.52) SMARCA2SMARCA4PBRM1NPC1KDM4E

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