SCHEMBL30002317

SCHEMBL30002317

Cc1ccccc1C(=O)OCC(O)CO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.68
ADRB1 P08588 12/20 0.68
ADRB3 P13945 12/20 0.68
TSHR P16473 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 2/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MLNR O43193 1/20 0.44
ABCB11 O95342 1/20 0.44
CHRM2 P08172 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
GABRA1 P14867 1/20 0.44
HPGD P15428 1/20 0.44

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
Glycerin SCHEMBL29142960 0.98 ADRB2 (0.66) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL9463879 0.92 ADRB2 (0.73) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL120454 0.88 ALDH1A1 (0.61) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL27601183 0.83 ALDH1A1 (0.51) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL446204 0.82 ADRB2 (0.63) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL17629572 0.82 ADRB2 (0.63) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL120453 0.82 ALDH1A1 (0.56) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL9106286 0.82 ALDH1A1 (0.54) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL17629569 0.82 ADRB2 (0.63) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL29613210 0.82 ADRB2 (0.63) ADRB2ADRB1ADRB3TSHRALDH1A1

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-114901287-A Treatment of emesis and nausea with minimal dose of olanzapine 斯塔顿治疗公司 2022-08-12 CN claimed