SCHEMBL20021160

SCHEMBL20021160

FCc1ccc2c3c(cccc13)CCO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
DYRK1A Q13627 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GSK3B P49841 4/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL20020909 0.84 KDM4E (0.38) PRKCIAURKARPS6KB1DYRK1AMAPT
SCHEMBL20021168 0.84 PRKCI (0.37) PRKCIAURKARPS6KB1DYRK1AMAPT
SCHEMBL3298420 0.76 TYMS (0.45) PRKCIDYRK1AMAPTRAB9ADYRK2
SCHEMBL15182506 0.72 FABP4 (0.35) PRKCIDYRK1AMAPTDYRK2DYRK1B
SCHEMBL20021100 0.72 HPGD (0.44) PRKCIMAPTNPC1POLBRAB9A
SCHEMBL13736784 0.72 KEAP1 (0.38) PRKCIAURKARPS6KB1DYRK1ANPC1
SCHEMBL21662885 0.69 CYP3A4 (0.41) PRKCIDYRK1AMAPTNPC1RAB9A
SCHEMBL15169189 0.67 MAPK1 (0.31) PRKCIDYRK1AMAPTNPC1POLB
SCHEMBL10157309 0.61 KDM4E (0.44) PRKCIDYRK1ANPC1RAB9AKDM4E
SCHEMBL13101720 0.61 ALDH1A1 (0.53) MAPTPOLBKDM4EMEN1ALDH1A1

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-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed