SCHEMBL1649434

SCHEMBL1649434

CC(C)CCOC(=O)[C@H](O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.52
PPARG P37231 1/20 0.49
LMNA P02545 4/20 0.47
MAPK1 P28482 1/20 0.47
CHRM2 P08172 3/20 0.45
CHRM1 P11229 3/20 0.45
CHRM3 P20309 3/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRM4 P08173 2/20 0.45
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL11109779 1.00 SLC22A1 (0.52) SLC22A1PPARGLMNAMAPK1CHRM2
SCHEMBL28361392 0.87 LMNA (0.44) SLC22A1LMNAMAPK1CHRM2CHRM1
SCHEMBL28283552 0.84 SLC22A1 (0.53) SLC22A1PPARGLMNAMAPK1CHRM2
SCHEMBL3454217 0.82 LMNA (0.55) LMNAMAPK1CHRM2CHRM1CHRM3
SCHEMBL3454215 0.82 LMNA (0.55) LMNAMAPK1CHRM2CHRM1CHRM3
SCHEMBL28163280 0.82 ALDH1A1 (0.55) LMNAMAPK1CHRM2CHRM1CHRM3
SCHEMBL20799232 0.82 ALDH1A1 (0.55) LMNAMAPK1CHRM2CHRM1CHRM3
SCHEMBL28163281 0.82 ALDH1A1 (0.55) LMNAMAPK1CHRM2CHRM1CHRM3
SCHEMBL30190308 0.81 SLC22A1 (0.51) SLC22A1PPARGLMNAMAPK1CHRM2
SCHEMBL11523498 0.81 LMNA (0.46) SLC22A1LMNAMAPK1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105203-A1 NOVEL ANTI-SENESCENCE COMPOUNDS VITEXIA APS (DK) 2024-05-23 WO disclosed
CN-107089912-B Method for selectively catalyzing and synthesizing mandelate compound by metallocene complex 湖南大学 2020-10-30 CN disclosed
CN-109562137-A Methods and compositions for treating conditions associated with abnormal inflammatory responses 第波生物公司 2019-04-02 CN disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-4431639-A EXTRACT OF ATRACTYLIS LYRATA KIM DAE EUN 1984-02-14 US disclosed
US-4323562-A EXTRACT FROM HERB, ATRACTYLIS LYRATA S ET Z KIM DAE EUN 1982-04-06 US disclosed
US-4216224-A CARBAMIC OR THIOCARBAMIC ACID DERIVATIVE SCOTT EUGENE J VAN 1980-08-05 US disclosed