SCHEMBL2425203

SCHEMBL2425203

C=CC(=O)Oc1cc(C)cc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 5/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ TPMT P51580 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ THRA P10827 1/20 0.35
▸ TGM2 P21980 1/20 0.34

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
SCHEMBL15189053 0.96 THRB (0.46) THRBMEN1KMT2AMAPTALDH1A1
SCHEMBL1433687 0.85 TPMT (0.53) THRBMEN1KMT2AMAPTALDH1A1
SCHEMBL11850804 0.84 THRB (0.48) THRBMEN1KMT2AMAPTALDH1A1
SCHEMBL21019634 0.81 THRB (0.44) THRBMEN1KMT2AMAPTALDH1A1
SCHEMBL1592324 0.80 LMNA (0.65) THRBMEN1KMT2AMAPTALDH1A1
SCHEMBL29220639 0.80 MEN1 (0.44) THRBMEN1KMT2AMAPTALDH1A1
SCHEMBL17749092 0.80 THRB (0.42) THRBKMT2ATSHRLMNASMN1; SMN2
SCHEMBL27360836 0.79 THRB (0.43) THRBMEN1KMT2AALDH1A1CYP3A4
SCHEMBL2604631 0.79 HSD17B1 (0.42) THRBCYP3A4LMNA
SCHEMBL11216577 0.79 ELANE (0.45) MEN1KMT2AMAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849201-B Block copolymer 株式会社日本触媒 2021-05-14 — — CN disclosed
US-10859874-B2 Liquid crystal display apparatus SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-08 — — US disclosed
US-20190302498-A1 LIQUID CRYSTAL DISPLAY APPARATUS SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-03 — — US disclosed
US-20130046087-A1 Substituted Cyclodextrin Derivatives Useful As Intermediates For Producing Biologically Active Materials ARCARIOS BV (NL) 2013-02-21 — — US disclosed
EP-2550299-A2 Substituted cyclodextrin derivatives and process for their preparation Arcarios B.V. (NL) 2013-01-30 — — EP disclosed
WO-2011117317-A2 SUBSTITUTED CYCLODEXTRIN DERIVATIVES USEFUL AS INTERMEDIATES FOR PRODUCING BIOLOGICALLY ACTIVE MATERIALS ARCARIOS BV (NL) 2011-09-29 — — WO disclosed
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