SCHEMBL5021997

SCHEMBL5021997

Cc1cccc([C@H]2CNC(=O)O2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2C P28335 2/20 0.42
HSD11B1 P28845 2/20 0.41
CYP19A1 P11511 1/20 0.40
MAOB P27338 6/20 0.39
LMNA P02545 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
PBRM1 Q86U86 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL26016432 1.00 MEN1 (0.44) MEN1KMT2AHTR2CHSD11B1CYP19A1
SCHEMBL28957039 0.84 HTR2C (0.47) MEN1KMT2AHTR2CHSD11B1CYP19A1
SCHEMBL28957041 0.84 HTR2C (0.47) MEN1KMT2AHTR2CHSD11B1CYP19A1
SCHEMBL29698141 0.84 HTR2C (0.47) MEN1KMT2AHTR2CHSD11B1CYP19A1
SCHEMBL20845751 0.81 KDM1A (0.41) MEN1KMT2AHTR2CALDH1A1
SCHEMBL30669254 0.81 GRM5 (0.42) MEN1KMT2ACYP19A1MAOBALDH1A1
SCHEMBL10242047 0.81 SLC6A3 (0.51) SLC6A2ALDH1A1
SCHEMBL2899075 0.81 KDM1A (0.41) MEN1KMT2AHTR2CALDH1A1
SCHEMBL5021614 0.81 GRM5 (0.42) MEN1KMT2ACYP19A1MAOBALDH1A1
SCHEMBL5021243 0.80 LMNA (0.54) MEN1KMT2AHTR2CCYP19A1MAOB

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-2012064603-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 WO disclosed