SCHEMBL6900002

SCHEMBL6900002

CC(C)(C)c1ccc(-c2cccc3c2C=C(c2ccccn2)C3[Zr]C2C(c3ccccn3)=Cc3c(-c4ccc(C(C)(C)C)cc4)cccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
METAP2 P50579 1/20 0.33
S1PR1 P21453 1/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HIF1A Q16665 1/20 0.32
MEN1 O00255 2/20 0.32
AKT1 P31749 2/20 0.31
KDR P35968 1/20 0.31
NPC1 O15118 2/20 0.31
NR2F2 P24468 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
SCHEMBL6903610 0.87 PKM (0.40) ALDH1A1RAB9AMAPTHPGDHSD17B10
SCHEMBL6895367 0.87 TGFBR1 (0.38) ALDH1A1RAB9APOLBMAPTHPGD
SCHEMBL6903067 0.85 NPC1 (0.34) RAB9APOLBMAPTS1PR1KDM4E
SCHEMBL6901820 0.85 PKM (0.32) ALDH1A1RAB9AMAPTHPGDHSD17B10
SCHEMBL6902299 0.84 CCR1 (0.32) DGAT1
SCHEMBL6902406 0.84 TGFBR1 (0.39) RAB9AMAPTKMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL6902702 0.84 TRPV1 (0.39) TRPV1ABL1BCRALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6904878 0.84 TRPV1 (0.39) TRPV1ABL1BCRALDH1A1RAB9A
SCHEMBL7122880 0.84 TRPV1 (0.39) TRPV1ABL1BCRALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6903459 0.84 TRPV1 (0.39) TRPV1ABL1BCRALDH1A1RAB9A

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