SCHEMBL11347398

SCHEMBL11347398

C=C(C)C(=O)Oc1ccc(NS(C)(=O)=O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CYP17A1 P05093 3/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ ABL1 P00519 1/20 0.37

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
SCHEMBL11344377 0.86 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2HPGDPOLBRECQL
SCHEMBL2910158 0.82 BRD4 (0.45) ALDH1A1SMN1; SMN2SLC6A4SLC6A2SLC6A3
SCHEMBL3255431 0.79 PGR (0.50) ALDH1A1SMN1; SMN2HPGDRECQL
SCHEMBL11561400 0.78 GAA (0.46) ALDH1A1SMN1; SMN2HPGDPOLBRECQL
SCHEMBL1530140 0.78 SLC6A2 (0.41) ALDH1A1SMN1; SMN2SLC6A4SLC6A2SLC6A3
SCHEMBL3248027 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDPOLBCHEK1
SCHEMBL11556259 0.77 MAPT (0.49) ALDH1A1HPGDPOLB
SCHEMBL23547262 0.77 CYP17A1 (0.56) ALDH1A1SMN1; SMN2SLC6A4SLC6A2SLC6A3
SCHEMBL4595840 0.75 L3MBTL1 (0.48) ALDH1A1SMN1; SMN2HPGD
SCHEMBL15388438 0.73 HSD17B1 (0.40) ALDH1A1SMN1; SMN2HPGD

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-4259469-A DESIRABLE SOLUBILITY CHARACTERISTICS FOR USE IN PHOTOLITHOGRAPHY EASTMAN KODAK COMPANY (US) 1981-03-31 — — US disclosed
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