SCHEMBL27685153

SCHEMBL27685153

CCc1c(N)c(C(=O)O)c(C)c(C(=O)O)c1CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 8/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 4/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ABCC1 P33527 1/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FHIT P49789 1/20 0.31
GRM6 O15303 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL27932259 0.85 ALDH1A1 (0.37) KDM4EKMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL21670970 0.84 KDM4E (0.34) KDM4EKMT2AALDH1A1MAPTHPGD
SCHEMBL29180339 0.83 ALDH1A1 (0.38) KDM4EALDH1A1CYP1A2HCAR2ABCC1
SCHEMBL16950065 0.81 KDM4E (0.35) KDM4EKMT2AALDH1A1MAPTHPGD
SCHEMBL28059799 0.76 CNR2 (0.33) ALDH1A1SMN1; SMN2CYP1A2HCAR2ABCC1
SCHEMBL5692889 0.75 KDM4E (0.42) KDM4EKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL28059869 0.74 FFAR1 (0.38) ALDH1A1HPGDHCAR2HSD17B10LDHA
SCHEMBL3731187 0.74 BID (0.40) KMT2AALDH1A1MAPTMEN1
SCHEMBL13343473 0.74 ALDH1A1 (0.36) KDM4EALDH1A1CYP1A2HCAR2ABCC1
SCHEMBL28059864 0.73 LDHA (0.38) ALDH1A1GAAHCAR2LDHALDHB

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
CN-101068773-A Melanin concentrating hormone antagonists PROCTER & GAMBLE (US) 2007-11-07 CN claimed
CN-101068773-A Melanin concentrating hormone antagonists PROCTER & GAMBLE (US) 2007-11-07 CN disclosed