SCHEMBL4609471

SCHEMBL4609471

COC(=O)C1CCC2CCC3C(=C2C1)C=CC1=C2CCCCC2CCC13

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31
ADORA1 P30542 1/20 0.31
CNR2 P34972 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL6272976 0.65
SCHEMBL17477269 0.65 KDM4E (0.31)
SCHEMBL8892851 0.65 THRB (0.47) SMN1; SMN2BRD4
SCHEMBL5515974 0.64 SMN1; SMN2 (0.41) SMN1; SMN2ADORA1BRD4
SCHEMBL8912926 0.64 SMN1; SMN2 (0.47) SMN1; SMN2BRD4
SCHEMBL10543319 0.62 SMN1; SMN2 (0.40) SMN1; SMN2ADORA1
SCHEMBL17566 0.60
SCHEMBL2948892 0.60 TP53 (0.56) SMN1; SMN2BRD4
SCHEMBL244740 0.60
SCHEMBL2200767 0.60 TP53 (0.56) SMN1; SMN2BRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976533-A2 TRITERPENEQUINONE AND TRITERPENEPHENOL DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF TUMORS AND PARASITIC DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2008-10-08 EP claimed
WO-2007077203-A2 TRITERPENEQUINONE AND TRITERPENEPHENOL DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF TUMORS AND PARASITIC DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2007-07-12 WO claimed
EP-1976533-A2 TRITERPENEQUINONE AND TRITERPENEPHENOL DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF TUMORS AND PARASITIC DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2008-10-08 EP disclosed
WO-2007077203-A2 TRITERPENEQUINONE AND TRITERPENEPHENOL DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF TUMORS AND PARASITIC DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2007-07-12 WO disclosed