SCHEMBL6563891

SCHEMBL6563891

CCC(C)C(O)(O)OC(=O)c1ccccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.54
HSD17B10 Q99714 9/20 0.54
CFTR P13569 1/20 0.50
KDM4E B2RXH2 6/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 5/20 0.43
HPGD P15428 5/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 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
SCHEMBL27146814 0.81 ALDH1A1 (0.60) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL6563889 0.78 ALDH1A1 (0.53) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL8546366 0.75 ALDH1A1 (0.60) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL29851692 0.74 ALDH1A1 (0.63) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL171563 0.74 ALDH1A1 (0.63) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL28280199 0.73 ALDH1A1 (0.62) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL11769004 0.73 TSHR (0.47) ALDH1A1HSD17B10TSHRNPC1TP53
SCHEMBL11023805 0.73 ALDH1A1 (0.66) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL29024770 0.73 ALDH1A1 (0.61) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL3110030 0.72 ALDH1A1 (0.60) ALDH1A1HSD17B10CFTRKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040234592-A1 Mixture containing thyroid hormone , ethanolamine and emulsifier KARO BIO AB (SE) 2004-11-25 US claimed
EP-1404413-A2 DERMATOLOGICAL FORMULATIONS KARO BIO AB (SE) 2004-04-07 EP claimed
WO-2002089917-A2 DERMATOLOGICAL FORMULATIONS KARO BIO AB (SE) 2002-11-14 WO claimed
US-20040234592-A1 Mixture containing thyroid hormone , ethanolamine and emulsifier KARO BIO AB (SE) 2004-11-25 US disclosed
EP-1404413-A2 DERMATOLOGICAL FORMULATIONS KARO BIO AB (SE) 2004-04-07 EP disclosed
WO-2002089917-A2 DERMATOLOGICAL FORMULATIONS KARO BIO AB (SE) 2002-11-14 WO disclosed