SCHEMBL9750496

SCHEMBL9750496

COc1cccc([C@@H]2O[C@@]2(C)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC9A1 P19634 2/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HSD11B1 P28845 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NLRP3 Q96P20 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL8373373 0.81 EDNRA (0.43) KDM4EALDH1A1GAAHPGDCES2
SCHEMBL8776894 0.81 EDNRA (0.43) KDM4EALDH1A1GAAHPGDCES2
SCHEMBL9750486 0.81 EDNRA (0.43) KDM4EALDH1A1GAAHPGDCES2
SCHEMBL329169 0.79 KMT2A (0.40) KMT2ASLC9A1POLBCYP3A4HTT
SCHEMBL5860484 0.79 KMT2A (0.40) KMT2ASLC9A1POLBCYP3A4HTT
SCHEMBL5862723 0.79 KMT2A (0.40) KMT2ASLC9A1POLBCYP3A4HTT
SCHEMBL17683912 0.73 HTR2C (0.45) HPGDLMNASMN1; SMN2DDB1CRBN
SCHEMBL11132699 0.72 KDM1A (0.42) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL3287370 0.72 SLC9A1 (0.67) MEN1KMT2ASLC9A1KDM4EALDH1A1
SCHEMBL3658497 0.72 SLC9A1 (0.67) MEN1KMT2ASLC9A1KDM4EALDH1A1

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
JP-4217969-A None JP disclosed
JP-H04217969-A PREPARATION OF (-)-(METHYL-(2R,3S)-2,3-EPOXY-3-(4-METHOXYPHENYL)PROPIONATE) AND ENANTIOMER THEREOF SYNTHELABO SA 1992-08-07 JP disclosed