SCHEMBL16178787

SCHEMBL16178787

CCCCCc1cc2ccc3cccnc3c2nc1CCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
CCR1 P32246 5/20 0.43
CCR8 P51685 5/20 0.43
CCR5 P51681 3/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HSP90AA1 P07900 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
MMP2 P08253 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
MMP8 P22894 1/20 0.43
THPO P40225 1/20 0.43

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 0.95 ATM (0.44) ATMCCR1CCR8CCR5LMNA
SCHEMBL9001640 0.92 CCR1 (0.46) ATMCCR1CCR8CCR5LMNA
SCHEMBL28064829 0.81 CCR1 (0.48) ATMCCR1CCR8CCR5LMNA
SCHEMBL27915633 0.80 GPR84 (0.42) CCR1CCR8CCR5LMNATSHR
SCHEMBL7715992 0.79 ATM (0.48) ATMLMNAKDM4EMAPTTDP1
SCHEMBL31026594 0.79 CCR1 (0.51) ATMCCR1CCR8CCR5LMNA
SCHEMBL31026585 0.79 CCR1 (0.51) ATMCCR1CCR8CCR5LMNA
SCHEMBL16178802 0.79 TRPV1 (0.44) CCR1CCR8CCR5LMNATSHR
SCHEMBL9528545 0.77 PDE10A (0.58) CCR1CCR8CCR5LMNATSHR
SCHEMBL2084240 0.76 TRPV1 (0.50) CCR1CCR8CCR5LMNATSHR

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