SCHEMBL3367142

SCHEMBL3367142

CP(C)(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
CETP P11597 3/20 0.51
ALDH1A1 P00352 3/20 0.47
FOLH1 Q04609 1/20 0.45
IDO1 P14902 1/20 0.44
SRC P12931 1/20 0.44
MAOB P27338 1/20 0.43
PDPK1 O15530 1/20 0.43
MTOR P42345 1/20 0.43
AGXT P21549 1/20 0.43
ALPG P10696 1/20 0.43
PTK2B Q14289 1/20 0.43
PKM P14618 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL389180 0.86 TSHR (0.63) TSHRCETPALDH1A1FOLH1IDO1
SCHEMBL10200001 0.84 TSHR (0.55) TSHRCETPALDH1A1FOLH1IDO1
SCHEMBL12746424 0.83 TSHR (0.59) TSHRCETPALDH1A1FOLH1IDO1
SCHEMBL6825537 0.83 TSHR (0.70) TSHRCETPALDH1A1FOLH1SRC
SCHEMBL10308513 0.83 TSHR (0.59) TSHRCETPALDH1A1FOLH1IDO1
SCHEMBL206609 0.81 TSHR (0.68) TSHRCETPALDH1A1IDO1SRC
SCHEMBL8038494 0.81 TSHR (0.57) TSHRCETPALDH1A1FOLH1IDO1
SCHEMBL14812949 0.81 TSHR (0.57) TSHRCETPALDH1A1FOLH1IDO1
SCHEMBL12567320 0.81 TSHR (0.57) TSHRCETPALDH1A1FOLH1IDO1
SCHEMBL8619121 0.81 TSHR (0.57) TSHRCETPALDH1A1FOLH1IDO1

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
WO-2010056795-A1 NOVEL SYNTHETIC DINUCLEOSIDE POLYPHOSPHATE ANALOGS AND THEIR USE AS NEW THERAPEUTIC AND/OR DIAGNOSTIC MODALITIES ZATA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
CN-1014321-B PROCESS FOR PRODUCING GLUTACONIC ACID DERIVATIVE SHIONOGI & CO (JP) 1991-10-16 CN disclosed
CN-85106433-A Produce the method for glutaconic acid derivative 1987-03-18 CN disclosed