SCHEMBL9730378

SCHEMBL9730378

CCC(C)Oc1ncccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.51
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
HTT P42858 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
DHODH Q02127 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
AGER Q15109 1/20 0.45
LMNA P02545 3/20 0.44

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
SCHEMBL15694859 0.84 KDM4E (0.52) MAPK8MEN1KMT2AHTTL3MBTL1
SCHEMBL13280477 0.83 MEN1 (0.47) MAPK8MEN1KMT2AHTTL3MBTL1
SCHEMBL13280475 0.83 MEN1 (0.47) MAPK8MEN1KMT2AHTTL3MBTL1
SCHEMBL15662417 0.83 KDM4E (0.50) MAPK8MEN1KMT2AHTTL3MBTL1
SCHEMBL123523 0.79 L3MBTL1 (0.64) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL5446405 0.78 ALDH1A1 (0.49) MAPK8MEN1KMT2AL3MBTL1NPC1
SCHEMBL29458677 0.78 MKNK2 (0.48) MAPK8MEN1KMT2AHTTL3MBTL1
SCHEMBL1671161 0.78 KDM4E (0.52) MAPK8MEN1KMT2AHTTL3MBTL1
SCHEMBL3932209 0.78 NAPRT (0.53) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL12126284 0.77 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1KDM4ETDP1

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-5145601-A Ferroelectric liquid crystals with nicotinic acid cores THE UNIVERSITY OF COLORADO FOUNDATION INC. (US) 1992-09-08 US disclosed