SCHEMBL7967765

SCHEMBL7967765

CCC[C@H]1CC[C@@H](COc2ccc3cc(C=CC(=O)O)ccc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.44
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
HTR3A P46098 1/20 0.42
KCNH2 Q12809 1/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
MTNR1A P48039 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TLR4 O00206 1/20 0.40
TLR2 O60603 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
SCHEMBL7970083 1.00 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2POLBSLC6A2
SCHEMBL7970087 1.00 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2POLBSLC6A2
SCHEMBL7967764 1.00 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2POLBSLC6A2
SCHEMBL7967760 1.00 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2POLBSLC6A2
SCHEMBL7970139 0.91 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2POLBSLC6A2
SCHEMBL7972734 0.91 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2POLBSLC6A2
SCHEMBL7972728 0.91 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2POLBSLC6A2
SCHEMBL7970145 0.91 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2POLBSLC6A2
SCHEMBL7970147 0.91 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2POLBSLC6A2
SCHEMBL3356877 0.90 THRB (0.49) KDM4EALDH1A1SMN1; SMN2POLBTHRB

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
US-6277502-B1 ORGANOSILICON POLYMERS; LIQUID CRYSALS ROLIC AG (CH) 2001-08-21 US disclosed