SCHEMBL30360660

SCHEMBL30360660

O=C(O)c1cccc(Cl)c1CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 4/20 0.57
AKR1B1 P15121 1/20 0.53
PBRM1 Q86U86 1/20 0.45
ALOX15 P16050 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
CYP3A4 P08684 2/20 0.44
HTR1A P08908 2/20 0.44
ADRA2A P08913 2/20 0.44
CYP2C9 P11712 2/20 0.44
HTR2A P28223 2/20 0.44
CYP2C19 P33261 2/20 0.44
ADRA1A P35348 2/20 0.44
HIF1A Q16665 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 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
SCHEMBL8482166 1.00 TSHR (0.59) TSHRALDH1A1AKR1B1PBRM1ALOX15
SCHEMBL8477925 0.85 ALDH1A1 (0.55) TSHRALDH1A1ALOX15MAPTCYP1A2
SCHEMBL8482161 0.84 TSHR (0.59) TSHRALDH1A1AKR1B1PBRM1ALOX15
SCHEMBL1035697 0.82 AKR1B1 (0.74) TSHRALDH1A1AKR1B1PBRM1ALOX15
SCHEMBL9317962 0.82 TSHR (0.57) TSHRALDH1A1AKR1B1PBRM1ALOX15
SCHEMBL3821377 0.82 TSHR (0.57) TSHRALDH1A1AKR1B1PBRM1ALOX15
SCHEMBL7644125 0.79 TSHR (0.53) TSHRALDH1A1AKR1B1PBRM1ALOX15
SCHEMBL4500755 0.79 TSHR (0.53) TSHRALDH1A1AKR1B1PBRM1ALOX15
SCHEMBL5455144 0.79 ALDH1A1 (0.57) TSHRALDH1A1AKR1B1PBRM1ALOX15
SCHEMBL11137087 0.79 TSHR (0.49) TSHRALDH1A1AKR1B1PBRM1ALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4464317-A2 COMPOUNDS AND COMPOSITIONS AND USES THEREOF Sumitomo Pharma America, Inc. (US) 2024-11-20 EP disclosed
EP-3494119-B1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUMITOMO PHARMA AMERICA INC (US) 2024-09-04 EP disclosed
CN-116514761-A Compounds, compositions and uses thereof 赛诺维信制药公司 2023-08-01 CN disclosed
CN-116283877-A Compounds, compositions and uses thereof 赛诺维信制药公司 2023-06-23 CN disclosed
CN-110088107-B Compounds, compositions and uses thereof 赛诺维信制药公司 2023-04-14 CN disclosed