SCHEMBL11203809

SCHEMBL11203809

Cc1ccc(-c2cccc(C(C)N)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
DHODH Q02127 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
CFD P00746 1/20 0.39
F11 P03951 1/20 0.39
TPSB2 P20231 1/20 0.39
PTPN5 P54829 3/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
EPHX1 P07099 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALKBH3 Q96Q83 1/20 0.37
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35

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
SCHEMBL1252080 0.86 RXRA (0.49) RXRARXRBRXRGCFDF11
SCHEMBL10145754 0.86 RXRA (0.49) RXRARXRBRXRGCFDF11
SCHEMBL11207038 0.84 ADRB2 (0.45) DHODHFNTAFNTBCYP3A4CYP2C9
SCHEMBL7815678 0.81 PTPN5 (0.55) RXRARXRBRXRGDHODHPTPN5
SCHEMBL5888495 0.79 KIF11 (0.49) RXRARXRBRXRGIRAK4PSEN1
SCHEMBL5216031 0.79 KIF11 (0.49) RXRARXRBRXRGIRAK4PSEN1
SCHEMBL30913871 0.79 ADRB2 (0.52)
SCHEMBL10801845 0.79 ADRB2 (0.52)
SCHEMBL3721175 0.79 PTPN5 (0.51) DHODHPTPN5PSEN1PSEN2APH1B
SCHEMBL17795032 0.78 RXRA (0.42) RXRARXRBRXRGDHODHPTPN5

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-0092194-A1 Method of obtaining optically active half esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-26 EP disclosed