SCHEMBL29623656

SCHEMBL29623656

CC(C)(C)c1csc(-c2cc3cc(OCc4ccccc4CC(=O)O)ccc3o2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.42
PPARA Q07869 3/20 0.42
PTGER4 P35408 3/20 0.40
SLC26A4 O43511 2/20 0.39
CYP26A1 O43174 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39
PPARG P37231 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
CFD P00746 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
S1PR1 P21453 1/20 0.37
CYP4A11 Q02928 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL210686 1.00 PPARD (0.42) PPARDPPARAPTGER4SLC26A4CYP26A1
Hydrochloric Acid SCHEMBL1224090 0.99 PPARD (0.41) PPARDPPARAPTGER4SLC26A4CYP26A1
SCHEMBL8310811 0.91 PTGER4 (0.42) PPARDPPARAPTGER4SLC26A4PPARG
SCHEMBL8314225 0.89 SLC26A4 (0.38) PPARDPPARAPTGER4SLC26A4F2RL3
SCHEMBL8316517 0.89 BCL2 (0.43) PTGER4SLC26A4F2RL3KMT2AMEN1
SCHEMBL8314208 0.87 F2RL3 (0.36) PTGER4SLC26A4F2RL3KMT2AMEN1
SCHEMBL9061589 0.86 F2RL3 (0.35) PPARDPPARAPTGER4SLC26A4F2RL3
SCHEMBL8310775 0.86 MAOB (0.42) SLC26A4F2RL3KMT2AHDAC6
SCHEMBL8311549 0.85 PTGER4 (0.40) PPARDPPARAPTGER4SLC26A4
SCHEMBL8310234 0.85 SLC26A4 (0.36) PTGER4SLC26A4F2RL3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 CN disclosed
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed