SCHEMBL19756100

SCHEMBL19756100

O=C(OCCS(=O)(=O)O)c1ccc(I)cc1OC(=O)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 3/20 0.33
▸ CA2 P00918 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 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
SCHEMBL19756074 0.99 ALDH1A1 (0.36) ALDH1A1HPGDESR1ESR2KMT2A
SCHEMBL25476243 0.87 ALDH1A1 (0.38) ALDH1A1HPGDESR1ESR2KMT2A
SCHEMBL25476244 0.86 ALDH1A1 (0.39) ALDH1A1HPGDESR1ESR2KMT2A
SCHEMBL25527993 0.85 HPGD (0.34) ALDH1A1HPGDESR1ESR2KMT2A
SCHEMBL25527996 0.84 HPGD (0.35) ALDH1A1HPGDESR1ESR2KMT2A
SCHEMBL19756066 0.81 PTGS2 (0.39) ALDH1A1HPGDESR1KMT2ATDP1
SCHEMBL19756083 0.81 KDM4E (0.31) KDM4E
SCHEMBL19756072 0.79 ACHE (0.36) ALDH1A1HPGDESR1KMT2ATDP1
SCHEMBL19756079 0.79 ALOX15 (0.36) ALDH1A1KMT2ACA2KDM4E
SCHEMBL19756087 0.79 ALDH1A1 (0.39) ALDH1A1HPGDESR1ESR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230273519-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND PATTERN FORMATION METHOD JSR CORPORATION (JP) 2023-08-31 — — US disclosed
US-20170369616-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-12-28 — — US disclosed
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