SCHEMBL10885203

SCHEMBL10885203

C=CCOC(=O)Oc1c(Br)cc(Sc2cc(Br)c(OC(=O)OCC=C)c(Br)c2)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
PTP4A3 O75365 2/20 0.34
PTP4A1 Q93096 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
PTP4A2 Q12974 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
APP P05067 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
GAA P10253 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
SCHEMBL10999487 0.86 CYP3A4 (0.39) CYP3A4PTP4A3PTP4A1SMN1; SMN2PTP4A2
SCHEMBL10888016 0.83 CYP3A4 (0.34) CYP3A4PTP4A3PTP4A1SMN1; SMN2PTP4A2
SCHEMBL9451830 0.79 ALDH1A1 (0.39) CYP3A4PTP4A3PTP4A1SMN1; SMN2PTP4A2
SCHEMBL10928922 0.77 ESR1 (0.46) CYP3A4
SCHEMBL10935249 0.73 CYP3A4 (0.41) CYP3A4PTP4A3PTP4A1MEN1KMT2A
SCHEMBL6153276 0.73 CYP3A4 (0.42) CYP3A4SMN1; SMN2MEN1KMT2AAPP
SCHEMBL2127295 0.71 CYP3A4 (0.46) CYP3A4SMN1; SMN2MEN1KMT2AAPP
SCHEMBL20398539 0.69 CYP3A4 (0.53) CYP3A4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9174748 0.69 CYP3A4 (0.49) CYP3A4PTP4A3PTP4A1SMN1; SMN2MEN1
SCHEMBL10884994 0.69 ALDH1A1 (0.36) CYP3A4SMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4611892-A Synthetic resin ophthalmic lens having a surface hard coat SEIKO EPSON CORPORATION (JP) 1986-09-16 US claimed
US-4611892-A Synthetic resin ophthalmic lens having a surface hard coat SEIKO EPSON CORPORATION (JP) 1986-09-16 US disclosed