SCHEMBL25527926

SCHEMBL25527926

Bc1ccc(Cl)c(C(=O)OCCS(=O)(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RXFP1 Q9HBX9 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
SCHEMBL25527915 0.85 CA12 (0.43) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL25737057 0.83 CYP4F2 (0.47) CYP4F2CYP4A11TSHRALDH1A1SMN1; SMN2
SCHEMBL25527934 0.83 ALDH1A1 (0.38) TSHRALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL25527929 0.83 MAPK1 (0.38) TSHRALDH1A1HPGDKMT2APOLB
SCHEMBL20908983 0.83 CYP4F2 (0.46) CYP4F2CYP4A11TSHRALDH1A1SMN1; SMN2
SCHEMBL19756060 0.83 CYP4F2 (0.40) CYP4F2CYP4A11TSHRALDH1A1SMN1; SMN2
SCHEMBL25527920 0.83 SERPINE1 (0.33) TSHRALDH1A1
SCHEMBL18775957 0.79 HPGD (0.52) TSHRALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL18775878 0.77 KMT2A (0.53) TSHRALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL25528078 0.75 SERPINE1 (0.34) —

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
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