SCHEMBL11722239

SCHEMBL11722239

CC=CC(=O)OCCOc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.66
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TSHR P16473 1/20 0.51
▸ PKM P14618 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HCAR2 Q8TDS4 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PARP10 Q53GL7 1/20 0.47
▸ AKR1B10 O60218 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46

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
SCHEMBL11722220 1.00 THRB (0.66) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL14491647 0.95 THRB (0.60) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL9860505 0.90 THRB (0.74) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL9860992 0.90 THRB (0.74) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL9840742 0.90 THRB (0.74) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL297662 0.89 THRB (0.60) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL21852307 0.88 GAA (0.57) THRBRAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL9297892 0.86 THRB (0.70) THRBRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL27888801 0.86 KDM4E (0.55) THRBRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL21496022 0.85 L3MBTL1 (0.51) THRBNPC1SMN1; SMN2MEN1HPGD

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
CN-101523239-B Ultraviolet light absorbing optical elements and forming method thereof 卡尔蔡司视觉澳大利亚控股有限公司 2016-10-19 — — CN disclosed
US-4036984-A PHENOXYETHYL FATTY ACID ESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JA) 1977-07-19 — — US disclosed
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