SCHEMBL25529019

SCHEMBL25529019

O=C(CS)OCCOc1cc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
USP2 O75604 1/20 0.52
CYP2C19 P33261 1/20 0.52
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
PPARG P37231 3/20 0.42
MRGPRX4 Q96LA9 4/20 0.41
HTT P42858 2/20 0.40
SCN8A Q9UQD0 3/20 0.40
SCN10A Q9Y5Y9 2/20 0.40
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL25528463 0.84 KDM4E (0.52) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL25527375 0.83 ALDH1A1 (0.47) ALDH1A1KMT2A
SCHEMBL25527364 0.82 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL25541733 0.81 PPARD (0.39) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL25527374 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2A
SCHEMBL25527377 0.80 TSHR (0.44) ALDH1A1KDM4EPPARAPPARGHTT
SCHEMBL957682 0.80 KDM4E (0.62) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL954517 0.80 KDM4E (0.62) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL3784235 0.78 KDM4E (0.63) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL20472335 0.77 KDM4E (0.59) ALDH1A1KDM4EHPGDHSD17B10USP2

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
US-20230152696-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed