SCHEMBL7970147

SCHEMBL7970147

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLA2G4A P47712 1/20 0.42
POLB P06746 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 1/20 0.41
PPARA Q07869 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR3A P46098 1/20 0.39
KCNH2 Q12809 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
ITGB3 P05106 1/20 0.38

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
SCHEMBL7970139 1.00 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PLA2G4APOLB
SCHEMBL7970145 1.00 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PLA2G4APOLB
SCHEMBL7972728 1.00 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PLA2G4APOLB
SCHEMBL7972734 1.00 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PLA2G4APOLB
SCHEMBL7967807 0.91 THRB (0.45) KDM4EALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL7970083 0.91 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2POLBAKR1C3
SCHEMBL7967760 0.91 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2POLBAKR1C3
SCHEMBL3355575 0.91 THRB (0.45) KDM4EALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL7967765 0.91 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2POLBAKR1C3
SCHEMBL7969665 0.91 THRB (0.45) KDM4EALDH1A1SMN1; SMN2POLBKMT2A

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