SCHEMBL7225441

SCHEMBL7225441

CNC(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.42
NR5A1 Q13285 1/20 0.42
NR1H4 Q96RI1 3/20 0.40
EPHX2 P34913 1/20 0.40
RAB9A P51151 1/20 0.39
HDAC1 Q13547 1/20 0.38
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
ALOX5 P09917 3/20 0.38
PTGS2 P35354 3/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7217618 0.82 NR5A2 (0.44) NR5A2NR5A1HDAC1GLRA3GLRB
SCHEMBL14825538 0.77 GLRA3 (0.42) NR5A2NR5A1GLRA3GLRBGABRA1
SCHEMBL6466602 0.77 GLRA3 (0.57) NR5A2NR5A1RAB9AGLRA3GLRB
SCHEMBL7223640 0.75 KCNK9 (0.55) NR1H4RAB9AALOX5PTGS2MEN1
SCHEMBL28419884 0.75 GLRA3 (0.55) NR5A2NR5A1RAB9AGLRA3GLRB
SCHEMBL10183617 0.75 HDAC6 (0.53) NR1H4EPHX2RAB9AHDAC1GABRA1
SCHEMBL14988234 0.75 GLRA3 (0.41) NR5A2NR5A1NR1H4EPHX2GLRA3
SCHEMBL7219598 0.73 GLRA3 (0.39) NR5A2NR5A1NR1H4EPHX2RAB9A
SCHEMBL7217357 0.72 LMNA (0.64) NR1H4EPHX2RAB9AMEN1KMT2A
SCHEMBL16147679 0.71 GLRA3 (0.55) NR5A2NR5A1GLRA3GLRBALOX5

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
US-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US claimed