SCHEMBL9840755

SCHEMBL9840755

C=C(CC(=O)O)C(=O)OCCOc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TSHR P16473 1/20 0.54
PKM P14618 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.47
PARP10 Q53GL7 1/20 0.46
ALOX15 P16050 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL9840757 0.90 THRB (0.55) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL26130421 0.85 THRB (0.57) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL8043107 0.85 THRB (0.57) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL29182462 0.85 THRB (0.57) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL7135684 0.84 THRB (0.55) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL15122553 0.84 MEN1 (0.49) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL27807864 0.83 THRB (0.54) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL3763325 0.82 THRB (0.65) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL10762390 0.82 HCAR2 (0.49) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL6525867 0.82 RAB9A (0.52) THRBRAB9ANPC1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023145634-A1 ANTIFOULING COATING MATERIAL COMPOSITION 日東化成株式会社 2023-08-03 WO disclosed
US-4990428-A Photopolymerizable compound overcoating aluminum(or alloy therof), and aluminum oxide layers MITSUBISHI KASEI CORPORATION (JP) 1991-02-05 US disclosed
EP-0179448-B1 PHOTOSENSITIVE PLANOGRAPHIC PRINTING PLATE MITSUBISHI KASEI CORPORATION (JP) 1990-04-18 EP disclosed
EP-0179448-A2 Photosensitive planographic printing plate MITSUBISHI KASEI CORPORATION (JP) 1986-04-30 EP disclosed