SCHEMBL27629520

SCHEMBL27629520

CC(CC[O])Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
SLC6A4 P31645 1/20 0.41
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.38
LTA4H P09960 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2096009 0.88 MTNR1A (0.49) MTNR1AMTNR1BSLC6A4LMNAGAA
SCHEMBL2092589 0.87 MTNR1A (0.55) MTNR1AMTNR1BSLC6A4LMNAGAA
SCHEMBL7973526 0.82 MTNR1A (0.53) MTNR1AMTNR1BSLC6A4LMNAALDH1A1
SCHEMBL1454240 0.81 MTNR1A (0.49) MTNR1AMTNR1BSLC6A4LMNAMAPT
SCHEMBL7582723 0.79 MTNR1A (0.47) MTNR1AMTNR1BSLC6A4LMNALTA4H
SCHEMBL4665496 0.79 MTNR1A (0.51) MTNR1AMTNR1BSLC6A4LMNAGAA
SCHEMBL331604 0.79 MTNR1A (0.47) MTNR1AMTNR1BSLC6A4LMNAGAA
SCHEMBL7404204 0.79 MTNR1A (0.47) MTNR1AMTNR1BSLC6A4LMNACYP1A2
SCHEMBL218384 0.79 MTNR1A (0.47) MTNR1AMTNR1BSLC6A4LMNAGAA
SCHEMBL11502513 0.79 MTNR1A (0.56) MTNR1AMTNR1BGAACYP1A2CYP2C9

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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed