SCHEMBL5569818

SCHEMBL5569818

COc1cccc(P(c2ccccc2)c2ccccc2)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
ROCK2 O75116 1/20 0.34
NR3C1 P04150 3/20 0.33
RPS6KA2 Q15349 1/20 0.33
TACR1 P25103 1/20 0.33
AGER Q15109 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
ABCB1 P08183 1/20 0.32
HTR7 P34969 1/20 0.32
DRD1 P21728 1/20 0.32
PTPRC P08575 1/20 0.32
PTPN1 P18031 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
SCHEMBL4443108 0.95 SMN1; SMN2 (0.34) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL8149220 0.91 ROCK2 (0.36) SMN1; SMN2HPGDTSHRROCK2ABCB1
SCHEMBL4444992 0.90 SMN1; SMN2 (0.38) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL28439942 0.88 HTR7 (0.40) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL20304 0.88 HTR7 (0.40) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL30068977 0.87 HTR7 (0.39) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL5502813 0.87 HTR7 (0.39) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL4216711 0.87 HTR7 (0.39) SMN1; SMN2HPGDRAB9ANPC1TP53
Hydrochloric Acid SCHEMBL29391428 0.87 HTR7 (0.39) SMN1; SMN2HPGDRAB9ANPC1TP53
SCHEMBL30181989 0.87 HTR7 (0.39) SMN1; SMN2HPGDRAB9ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761548-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2007-03-14 EP disclosed
WO-2006002729-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2006-01-12 WO disclosed
EP-1609795-A1 Process for the preparation of asymmetrically substituted biaryldiphosphines Lonza AG (CH) 2005-12-28 EP disclosed