SCHEMBL6688342

SCHEMBL6688342

CCN(c1ccc2c(c1)C(=O)c1ccccc1C2=O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
ALDH1A1 P00352 6/20 0.51
MAPK1 P28482 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
IGLV6-57 P01721 1/20 0.48
ELANE P08246 1/20 0.47
CYP1A2 P05177 3/20 0.47
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
ATM Q13315 2/20 0.46
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
TSHR P16473 2/20 0.45

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
SCHEMBL6850488 0.82 ALDH1A1 (0.57) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL2018342 0.81 RAB9A (0.53) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL6444104 0.81 MAPK1 (0.59) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL18984663 0.80 ELANE (0.55) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL6131235 0.79 NR3C2 (0.51) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL6334994 0.77 ELANE (0.52) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL18984698 0.76 MAPK1 (0.54) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL18984703 0.76 MAPK1 (0.54) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL3091326 0.76 ALDH1A1 (0.61) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL14982137 0.76 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1MAPK1SMN1; SMN2

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
WO-2004060061-A1 NOVEL SELECTIVE ALGAECIDES FOR CONTROL OF CYANOCHLORONTA THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2004-07-22 WO claimed
US-20040116536-A1 Novel selective algaecides for control of cyanochloronta UNIVERSITY OF MISSISSIPPI, THE 2004-06-17 US claimed