SCHEMBL8207306

SCHEMBL8207306

CC(C(=Cc1ccc(C(=O)O)cc1)c1ccccc1)c1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
POLB P06746 2/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
STAT1 P42224 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL8206395 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL8199503 0.79 CA2 (0.46) ALDH1A1KMT2AMEN1
SCHEMBL8205571 0.76 ADRA2A (0.50) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL9662609 0.70 ADRA2A (0.38) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL570524 0.69 ADRA2A (0.47) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL5350083 0.69 FPR2 (0.52) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL7711870 0.68 TBXA2R (0.45) KDM4E
Benzoic Acid SCHEMBL27988244 0.68 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1NPC1RAB9A
Hydrochloric Acid SCHEMBL28220351 0.67 ADRA2A (0.46) ALDH1A1KDM4EADRA2AADRA2BADRA2C
Bromide SCHEMBL28219788 0.67 ADRA2A (0.46) ALDH1A1KDM4EADRA2AADRA2BADRA2C

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
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed