SCHEMBL3766411

SCHEMBL3766411

Cc1ccc2c(C(C)c3ccccc3)c3ccccc3c(C(C)c3ccccc3)c2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VKORC1 Q9BQB6 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ IGLV6-57 P01721 1/20 0.31
▸ CASP2 P42575 1/20 0.30
▸ TYR P14679 1/20 0.30
▸ KIF11 P52732 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9770025 0.80 VKORC1 (0.41) VKORC1TYRMEN1KMT2ACASP1
SCHEMBL9770108 0.80 VKORC1 (0.37) VKORC1CYP1A2TSHRIGLV6-57TYR
SCHEMBL419410 0.80 VKORC1 (0.49) VKORC1TYRMEN1KMT2AHIF1A
SCHEMBL5507568 0.77 VKORC1 (0.41) VKORC1CYP1A2TYRKIF11MEN1
SCHEMBL866448 0.75 VKORC1 (0.38) VKORC1CYP1A2CYP2A6TYRMEN1
SCHEMBL1130428 0.72 TYR (0.44) VKORC1CYP1A2TSHRCYP2A6TYR
SCHEMBL28931828 0.70 TYR (0.43) VKORC1TSHRTYRMEN1KMT2A
SCHEMBL10491803 0.69 VKORC1 (0.41) VKORC1TSHRTYRKIF11MEN1
SCHEMBL11204134 0.69 ESR2 (0.38) VKORC1CYP1A2TSHRCYP2A6TYR
SCHEMBL9065050 0.69 TYR (0.48) CYP1A2TSHRCYP2A6TYRKMT2A

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
US-11740238-B2 Compositions and methods of detecting a substance of interest PIONEER HI-BRED INTERNATIONAL, INC. 2023-08-29 — — US disclosed
US-20180252711-A1 COMPOSITIONS AND METHODS OF DETECTING A SUBSTANCE OF INTEREST PIONEER HI-BRED INTERNATIONAL, INC. (US) 2018-09-06 — — US disclosed
US-8486719-B2 Multiplex assay methods and compositions PERKINELMER BIOSIGNAL, INC. (CA) 2013-07-16 — — US disclosed
US-20100304403-A1 MULTIPLEX ASSAY METHODS AND COMPOSITIONS PERKINELMER BIOSIGNAL, INC. 2010-12-02 — — US disclosed
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