SCHEMBL7594464

SCHEMBL7594464

COc1c(C)cc(P(=O)(c2cc(C)c(OC)c(C)c2)c2ccc3c(c2-c2c(P(=O)(c4cc(C)c(OC)c(C)c4)c4cc(C)c(OC)c(C)c4)ccc4c2OCO4)OCO3)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.36
CYP19A1 P11511 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SOST Q9BQB4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
TARBP2 Q15633 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
GSK3B P49841 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DYRK1A Q13627 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATR Q13535 1/20 0.33
POLB P06746 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL7645402 0.84 CYP19A1 (0.34) NQO2CYP19A1KDM4ELMNASOST
SCHEMBL7592864 0.82 NQO2 (0.38) NQO2CYP19A1KDM4ELMNASMN1; SMN2
SCHEMBL5385291 0.81 CYP3A4 (0.41) NQO2CYP19A1SOSTSMN1; SMN2GSK3B
SCHEMBL7594461 0.80 RAB9A (0.40) NQO2CYP19A1KDM4ESMN1; SMN2MAPT
SCHEMBL14337819 0.80 POLB (0.39) SMN1; SMN2TARBP2GSK3BMEN1KMT2A
SCHEMBL7594183 0.78 HSP90AA1 (0.37) NQO2CYP19A1KDM4ELMNASMN1; SMN2
SCHEMBL7642818 0.76 ALDH1A1 (0.34) NQO2CYP19A1LMNASMN1; SMN2MAPT
SCHEMBL5385211 0.76 CYP3A4 (0.45) SMN1; SMN2TARBP2GSK3BMEN1KMT2A
SCHEMBL14337947 0.75 CYP3A4 (0.30)
SCHEMBL14337881 0.75 CYP3A4 (0.30)

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
EP-0850945-B1 Chiral diphosphine compound, intermediate for preparing the same, transition metal complex having the same diphosphine compound as ligand and asymmetric hydrogenation catalyst TAKASAGO PERFUMERY CO LTD (JP) 2002-11-27 EP disclosed
EP-0850945-A1 Chiral diphosphine compound, intermediate for preparing the same, transition metal complex having the same diphosphine compound as ligand and asymmetric hydrogenation catalyst Takasago International Corporation (JP) 1998-07-01 EP disclosed