SCHEMBL25476243

SCHEMBL25476243

Cc1ccc(C(=O)OCCS(=O)(=O)O)c(OC(=O)C2CCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL25476244 0.99 ALDH1A1 (0.39) ALDH1A1KMT2AGLAMAPTMEN1
SCHEMBL19756100 0.87 ALDH1A1 (0.35) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL19756074 0.86 ALDH1A1 (0.36) ALDH1A1KMT2AGLAMAPTMEN1
SCHEMBL25527993 0.85 HPGD (0.34) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL25527996 0.84 HPGD (0.35) ALDH1A1KMT2AGLAMAPTMEN1
SCHEMBL25476231 0.82 PTGS2 (0.40) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL25476256 0.81 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL25476254 0.81 KMT2A (0.37) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL25476239 0.80 ACHE (0.39) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL25476241 0.80 NPSR1 (0.43) ALDH1A1KMT2AMAPTMEN1LMNA

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-20230161255-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 — — US disclosed
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