SCHEMBL7179285

SCHEMBL7179285

C=C(C)C(=O)Oc1cc2ccccc2c(/N=N/c2cccc3ccccc23)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ HIF1A Q16665 3/20 0.48
▸ CYP2C9 P11712 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PTPRA P18433 1/20 0.45
▸ PTPRB P23467 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RAPGEF4 Q8WZA2 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MAPK1 P28482 4/20 0.42
▸ DNASE1L3 Q13609 1/20 0.42
▸ SENP2 Q9HC62 1/20 0.39
▸ SENP1 Q9P0U3 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ PRMT1 Q99873 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ NPC1 O15118 3/20 0.37

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
SCHEMBL373234 1.00 CYP1A2 (0.48) CYP1A2ALDH1A1HIF1ACYP2C9TSHR
SCHEMBL373500 0.93 CYP1A2 (0.42) CYP1A2ALDH1A1HIF1ACYP2C9TSHR
SCHEMBL718829 0.86 MAPT (0.47) CYP1A2ALDH1A1HIF1AMAPK1PRMT1
SCHEMBL1802886 0.86 MAPT (0.47) CYP1A2ALDH1A1HIF1AMAPK1PRMT1
SCHEMBL373229 0.86 MAPT (0.47) CYP1A2ALDH1A1HIF1AMAPK1PRMT1
SCHEMBL373328 0.86 MAPT (0.47) CYP1A2ALDH1A1HIF1AMAPK1PRMT1
SCHEMBL13609825 0.85 CYP1A2 (0.43) CYP1A2ALDH1A1HIF1ACYP2C9TSHR
SCHEMBL7179907 0.84 CYP1A2 (0.48) CYP1A2ALDH1A1HIF1ACYP2C9TSHR
SCHEMBL7179903 0.84 CYP1A2 (0.48) CYP1A2ALDH1A1HIF1ACYP2C9TSHR
SCHEMBL7178612 0.77 CYP1A2 (0.42) CYP1A2ALDH1A1HIF1ACYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722110-B1 Water absorptive soft contact lens MENICON CO LTD (JP) 2003-09-17 — — EP disclosed
US-5661194-A POLYMER FROM MONOMERS OF (METH)ACRYLAMIDE TYPE MONOMER, FLUOROALKYL (SILICON-CONTAINING ALKYL) FUMARATE MONOMER, AND CROSSLINKING MONOMER MENICON CO., LTD. (JP) 1997-08-26 — — US disclosed
EP-0722110-A2 Water absorptive soft contact lens Menicon Co., Ltd. (JP) 1996-07-17 — — EP disclosed
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