SCHEMBL8905392

SCHEMBL8905392

Cc1cc([O])c(Cc2ccc3c(Cl)cccc3c2)c(O)c1C=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 4/20 0.36
AR P10275 6/20 0.35
P2RX3 P56373 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
ERN1 O75460 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
SCHEMBL8905400 0.90 NQO1 (0.37) NQO1ARP2RX3ALDH1A1MEN1
SCHEMBL8906210 0.86 CETP (0.41) ARCASP1CASP7ERN1
SCHEMBL8904879 0.83 AR (0.37) NQO1ARP2RX3ALDH1A1MEN1
SCHEMBL8732768 0.83 AR (0.40) NQO1AR
SCHEMBL8736522 0.82 THRA (0.40) P2RX3ALDH1A1KMT2ATDP1KDM4E
SCHEMBL8904212 0.81 ERN1 (0.36) NQO1ALDH1A1MEN1KMT2ATDP1
SCHEMBL8906218 0.78 CETP (0.44) ARLMNAERN1
SCHEMBL8904950 0.78 ERN1 (0.38) NQO1ALDH1A1MEN1KMT2ATDP1
SCHEMBL8905228 0.75 ERN1 (0.39) NQO1ALDH1A1MEN1KMT2ATDP1
SCHEMBL8733885 0.75 KMT2A (0.39) ARP2RX3KMT2AKDM4ESLC22A12

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-5677342-A ANTIDIABETIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1997-10-14 US claimed
US-5677342-A ANTIDIABETIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1997-10-14 US disclosed