SCHEMBL15048592

SCHEMBL15048592

OC(C=Cc1ccc(Cl)cc1)=Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
CYP1B1 Q16678 1/20 0.56
CYP1A2 P05177 2/20 0.52
EGFR P00533 2/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GRIN1 Q05586 2/20 0.47
GRIN2B Q13224 2/20 0.47
MAOA P21397 1/20 0.47
MAPT P10636 3/20 0.45
HDAC2 Q92769 2/20 0.45
NLRP3 Q96P20 1/20 0.45
TRPA1 O75762 1/20 0.45
HDAC3 O15379 1/20 0.45
TNKS O95271 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL546104 0.88 MAPT (0.56) MAOBCYP1B1CYP1A2EGFRMMP1
SCHEMBL2622598 0.83 HDAC3 (0.56) MAOBCYP1B1CYP1A2EGFRMMP1
SCHEMBL15048548 0.81 FOS (0.58) CYP1B1CYP1A2EGFRMMP1MMP2
SCHEMBL18416526 0.79 AHR (0.61) MAOBCYP1B1CYP1A2EGFRMMP1
SCHEMBL699519 0.79 AHR (0.61) MAOBCYP1B1CYP1A2EGFRMMP1
SCHEMBL14947044 0.79 AHR (0.61) MAOBCYP1B1CYP1A2EGFRMMP1
SCHEMBL699518 0.79 AHR (0.61) MAOBCYP1B1CYP1A2EGFRMMP1
SCHEMBL11703142 0.78 CYP1A2 (0.84) MAOBCYP1B1CYP1A2EGFRMMP1
SCHEMBL11703137 0.78 CYP1A2 (0.84) MAOBCYP1B1CYP1A2EGFRMMP1
SCHEMBL3673698 0.78 MAOB (0.53) MAOBCYP1B1CYP1A2EGFRMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470509-B2 Negative resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-06-25 US disclosed