SCHEMBL10869342

SCHEMBL10869342

Cc1ccc2c(C(=O)O)cccc2c1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MYC P01106 2/20 0.44
PTPN1 P18031 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
KMT2A Q03164 2/20 0.42
TBXAS1 P24557 1/20 0.42
ALOX15 P16050 1/20 0.41
MCL1 Q07820 2/20 0.41
PRNP P04156 1/20 0.41
POLB P06746 1/20 0.41
CDC25B P30305 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
SLC16A3 O15427 1/20 0.40

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
SCHEMBL24895106 0.81 HPGD (0.63) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL9558286 0.81 NR4A1 (0.50) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL3197711 0.80 ALDH1A1 (0.61) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL10527760 0.80 CDC25B (0.55) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL10012443 0.80 NR4A1 (0.67) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL11857852 0.80 NR4A1 (0.67) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL27985 0.79 NR4A1 (0.73) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL29406795 0.79 NR4A1 (0.73) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL6917090 0.79 ALDH1A1 (0.59) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL6917086 0.79 ALDH1A1 (0.59) NR4A1NR4A2NR4A3ALDH1A1KDM4E

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-0182499-A1 N-(6-methoxy-5-(perfluoroalkyl)-1-naphtolyl)-N-metylglycines and their thionaphthoyl analogs AYERST, MCKENNA AND HARRISON INC. (CA) 1986-05-28 EP claimed