SCHEMBL16178802

SCHEMBL16178802

CCCCCc1cc2ccc3cccnc3c2nc1C(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
HSP90AA1 P07900 7/20 0.40
RAB9A P51151 6/20 0.39
KMT2A Q03164 3/20 0.39
PAX8 Q06710 3/20 0.39
NPC1 O15118 2/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL27850567 0.79 ATM (0.44) TRPV1HSP90AA1CCR1CCR5CCR8
SCHEMBL16178787 0.79 ATM (0.50) TRPV1HSP90AA1CCR1CCR5CCR8
SCHEMBL9001640 0.76 CCR1 (0.46) TRPV1HSP90AA1CCR1CCR5CCR8
SCHEMBL27915633 0.75 GPR84 (0.42) TRPV1HSP90AA1RAB9AKMT2ANPC1
SCHEMBL31026594 0.74 CCR1 (0.51) TRPV1HSP90AA1NPC1CCR1CCR5
SCHEMBL31026585 0.74 CCR1 (0.51) TRPV1HSP90AA1NPC1CCR1CCR5
SCHEMBL9295653 0.73 TRPV1 (0.41) TRPV1KDM4ELMNASAE1
SCHEMBL10705017 0.72 TRPV1 (0.49) TRPV1HSP90AA1RAB9AKMT2APAX8
SCHEMBL15301993 0.72 LMNA (0.52) HSP90AA1RAB9AKMT2APAX8NPC1
SCHEMBL9528545 0.72 PDE10A (0.58) TRPV1HSP90AA1CCR1CCR5CCR8

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
US-9266983-B2 Catalyst composition and process for ethylene oligomerization CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2016-02-23 US disclosed
US-20140316087-A1 CATALYST COMPOSITION AND PROCESS FOR ETHYLENE OLIGOMERIZATION CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2014-10-23 US disclosed