SCHEMBL5343028

SCHEMBL5343028

C=C(CC)c1ccc(S(=O)(=O)O)cc1.C=CC(=O)Oc1cccc2cc3ccccc3c(O)c12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CYP2D6 P10635 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PTPRA P18433 1/20 0.32
▸ PTPRB P23467 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TYMS P04818 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ TGM2 P21980 1/20 0.31
▸ PRMT1 Q99873 1/20 0.30
▸ HCRTR1 O43613 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
SCHEMBL5346976 0.93 THRA (0.31) THRATHRBTSHR
SCHEMBL6014779 0.81 TYMS (0.43) THRATHRBALDH1A1MAPK1CYP1A2
SCHEMBL5349514 0.78 MCL1 (0.36) THRATHRBMAPK1TYMSHCRTR1
SCHEMBL5346974 0.74 MCL1 (0.33) THRATHRBMAPK1
SCHEMBL5339026 0.68 TSHR (0.47) THRBALDH1A1HIF1ACYP2C9TSHR
SCHEMBL2374547 0.67 LMNA (0.45) CYP2D6ALDH1A1TSHR
SCHEMBL17102366 0.67 TYMS (0.42) THRATHRBALDH1A1MAPK1CYP1A2
Phosphine SCHEMBL18422864 0.66 TYMS (0.41) THRATHRBALDH1A1MAPK1CYP1A2
SCHEMBL561617 0.65 TYMS (0.45) THRATHRBALDH1A1MAPK1CYP1A2
SCHEMBL29602140 0.65 THRB (0.46) THRATHRBALDH1A1CYP1A2CYP2C9

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-7238462-B2 Undercoating material for wiring, embedded material, and wiring formation method TOKYO OHKA KOGYO CO., LTD. (JP) 2007-07-03 — — US disclosed
US-20050074695-A1 Undercoating material for wiring, embedded material, and wiring formation method TOKYO OHKA KOGYO CO., LTD. (JP) 2005-04-07 — — US disclosed
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