SCHEMBL8311002

SCHEMBL8311002

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(F)c2c1SCCO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
HSD17B10 Q99714 4/20 0.34
TSHR P16473 3/20 0.33
DHODH Q02127 1/20 0.33
LMNA P02545 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 2/20 0.31
ALOX15 P16050 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 2/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30

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
SCHEMBL8307229 0.88 TSHR (0.32) HTTHSD17B10TSHRLMNAALDH1A1
SCHEMBL8307727 0.87 ALDH1A1 (0.32) HSD17B10TSHRLMNAALDH1A1MAPT
SCHEMBL8524088 0.86 HCRTR2 (0.41) ALDH1A1GABRG2GABRB3GABRA5
SCHEMBL8525058 0.84 POLB (0.34) KMT2AKDM4ENR1H4
SCHEMBL8524545 0.81 KMT2A (0.33) HSD17B10TSHRLMNAALDH1A1MAPT
SCHEMBL8490050 0.79 CNR2 (0.43) HTTALDH1A1KDM4ENPSR1
SCHEMBL8490014 0.79 HTT (0.38) HTTHSD17B10TSHRDHODHLMNA
SCHEMBL8310030 0.79 TSHR (0.40) HTTHSD17B10TSHRALDH1A1MAPT
SCHEMBL8488004 0.78 HTT (0.45) HTTHSD17B10TSHRLMNAALDH1A1
SCHEMBL9116313 0.77 MEN1 (0.38) HTTHSD17B10TSHRLMNAALDH1A1

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-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed