SCHEMBL6902056

SCHEMBL6902056

CCCCCCc1ccc(-c2cccc3c2C=C(c2ccc(C)cn2)C3[Zr]C2C(c3ccc(C)cn3)=Cc3c(-c4ccc(CCCCCC)cc4)cccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 6/20 0.39
MAPT P10636 3/20 0.39
ATM Q13315 2/20 0.39
STAT3 P40763 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NFKB1 P19838 3/20 0.36

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
SCHEMBL6902650 0.96 RAB9A (0.39) RAB9ASMN1; SMN2NPC1MAPTATM
SCHEMBL6902576 0.92 SMN1; SMN2 (0.33) RAB9ASMN1; SMN2NPC1HSD17B10KDM4E
SCHEMBL6901825 0.89 ALDH1A1 (0.34) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL6904267 0.86 CYP1A2 (0.36) RAB9ASMN1; SMN2NPC1MAPTATM
Hydrochloric Acid SCHEMBL6901139 0.86 RAB9A (0.39) RAB9ASMN1; SMN2NPC1MAPTATM
SCHEMBL6902522 0.85 CCR1 (0.37) RAB9ASMN1; SMN2NPC1STAT3TP53
SCHEMBL6903898 0.82 CYP3A4 (0.37) RAB9ASMN1; SMN2NPC1STAT3MEN1
SCHEMBL6902437 0.82 BRS3 (0.38) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
Hydrochloric Acid SCHEMBL6902605 0.82 RAB9A (0.39) RAB9ASMN1; SMN2NPC1MAPTATM
SCHEMBL6897160 0.81 CCR1 (0.33)

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-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed