SCHEMBL25527940

SCHEMBL25527940

BCc1c(B)cccc1C(=O)OCCS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.37
▸ TSHR P16473 8/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ CYP3A4 P08684 4/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP2D6 P10635 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 4/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31

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
SCHEMBL25737068 0.86 ALDH1A1 (0.37) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL25527943 0.81 — —
SCHEMBL25527906 0.78 ALDH1A1 (0.44) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL25527949 0.78 — —
SCHEMBL25527944 0.75 — —
SCHEMBL25527920 0.73 SERPINE1 (0.33) ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL25737071 0.73 SERPINE1 (0.30) —
SCHEMBL10172877 0.73 TDP1 (0.67) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL10067097 0.73 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL25476207 0.72 MEN1 (0.49) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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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