SCHEMBL30366389

SCHEMBL30366389

O=C(CCCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)ON1C(=O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.49
▸ FTO Q9C0B1 9/20 0.47
▸ KCNH2 Q12809 3/20 0.46
▸ MMP14 P50281 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMAD3 P84022 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CNR1 P21554 2/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NAALAD2 Q9Y3Q0 1/20 0.40

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
SCHEMBL3201232 1.00 ALB (0.49) ALBFTOKCNH2MMP14JAK2
Fluorescein SCHEMBL29996358 0.86 FTO (0.52) ALBFTOMEN1MAPTHPGD
SCHEMBL14769388 0.86 ALB (0.47) ALBFTOKCNH2MMP14JAK2
SCHEMBL17787480 0.85 ALB (0.47) ALBFTOKCNH2MMP14JAK2
SCHEMBL6450383 0.85 ALB (0.49) ALBFTOKCNH2MMP14JAK2
SCHEMBL3499473 0.84 ALB (0.56) ALBFTOKCNH2MMP14JAK2
SCHEMBL917141 0.84 ALB (0.58) ALBFTOKCNH2MMP14JAK2
SCHEMBL9215437 0.84 FTO (0.38) ALBFTOKCNH2MMP14JAK2
SCHEMBL20353152 0.82 FTO (0.55) ALBFTOKCNH2MMP14JAK2
SCHEMBL22434464 0.82 MEN1 (0.54) ALBFTOKCNH2MMP14MEN1

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-12105092-B2 Molecularly imprinted particles GEORGE MASON UNIVERSITY (US) 2024-10-01 — — US claimed
WO-2023054901-A1 MICROCARRIER AND CELLULAR COMPLEX, AND MEDICAL COMPOSITION, COSMETIC COMPOSITION, MEDICAL PRODUCT, AND COSMETIC PRODUCT COMPRISING SAME 주식회사 엘지화학 2023-04-06 — — WO disclosed
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