SCHEMBL14428544

SCHEMBL14428544

CCc1cc(O)cc(OCC(=O)OC2(C)C3CC4CC(C3)CC2C4)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.43
▸ CYP19A1 P11511 2/20 0.43
▸ CNR1 P21554 9/20 0.33
▸ CNR2 P34972 9/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ MDH1 P40925 1/20 0.31
▸ MDH2 P40926 1/20 0.31
▸ EP300 Q09472 1/20 0.31
▸ EPAS1 Q99814 1/20 0.31

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
SCHEMBL14428570 0.93 CYP19A1 (0.46) CYP17A1CYP19A1EPHX2MEN1POLB
SCHEMBL2611802 0.86 CYP17A1 (0.42) CYP17A1CYP19A1EPHX2MEN1POLB
SCHEMBL14428546 0.83 CYP17A1 (0.40) CYP17A1CYP19A1MAPTPTPN1PTPN11
SCHEMBL14428545 0.83 CYP17A1 (0.49) CYP17A1CYP19A1CNR2EPHX2MEN1
SCHEMBL2611804 0.82 CYP17A1 (0.39) CYP17A1CYP19A1CNR2EPHX2HIF1A
SCHEMBL16406573 0.80 CYP17A1 (0.45) CYP17A1CYP19A1MEN1POLBMAPT
SCHEMBL16426124 0.79 CYP17A1 (0.44) CYP17A1CYP19A1CNR2EPHX2MEN1
SCHEMBL14428538 0.79 EPHX2 (0.34) CNR1CNR2EPHX2MEN1MAPT
SCHEMBL2611814 0.79 CNR1 (0.35) CNR1CNR2PTPN1PTPN11
SCHEMBL17032002 0.78 CYP17A1 (0.51) CYP17A1CYP19A1MEN1MAPTKMT2A

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-20070190451-A1 Calixresorcinarene compounds, photoresist base materials, and compositions thereof IDEMITSU KOSAN CO., LTD. (JP) 2007-08-16 — — US disclosed
Send feedback