SCHEMBL24858664

SCHEMBL24858664

Cc1ccc(C(=O)c2cc(OC(=O)C(C)C)c(OC(=O)C(C)C)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.53
ABCC3 O15438 1/20 0.53
ABCC4 O15439 1/20 0.53
NR1I2 O75469 1/20 0.53
ABCB11 O95342 1/20 0.53
NR3C1 P04150 1/20 0.53
PGR P06401 1/20 0.53
HTR1A P08908 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
RARB P10826 1/20 0.53
COMT P21964 1/20 0.53
SLC6A2 P23975 1/20 0.53
ADORA1 P30542 1/20 0.53
ADRA1A P35348 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
KLF10 Q13118 1/20 0.53
PDE3A Q14432 1/20 0.53
NR1I3 Q14994 1/20 0.53

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
SCHEMBL7435351 0.80 TPMT (0.41) KMT2AMEN1HTTPDK1
SCHEMBL8733117 0.79 NPC1 (0.44) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL8726017 0.79 PDK1 (0.39) KMT2AALDH1A1LMNASMN1; SMN2PDK1
SCHEMBL8731669 0.78 GSK3B (0.38) KMT2AMEN1SMN1; SMN2PDK1MAPT
SCHEMBL7371022 0.77 TDP1 (0.47) TTRGPR35KMT2AMEN1ALDH1A1
SCHEMBL16884486 0.77 TTR (0.67) TTRABCC3ABCC4NR1I2ABCB11
SCHEMBL16884522 0.77 TTR (0.67) TTRABCC3ABCC4NR1I2ABCB11
SCHEMBL26997939 0.75 TTR (0.69) TTRABCC3ABCC4NR1I2ABCB11
SCHEMBL26997936 0.75 TTR (0.69) TTRABCC3ABCC4NR1I2ABCB11
SCHEMBL7373740 0.74 TTR (0.71) TTRABCC3ABCC4NR1I2ABCB11

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
WO-2023278464-A1 PHARMACOLOGICAL AGENTS FOR PREVENTING AND TREATING CATARACTS AND PRESBYOPIA EYE DISEASES PLEX PHARMACEUTICALS, INC. (US) 2023-01-05 WO disclosed