SCHEMBL7811585

SCHEMBL7811585

CON=C(c1ccccc1)C(O)Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDK5 Q00535 2/20 0.35

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
SCHEMBL27369625 0.80 POLB (0.44) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL22672464 0.80 POLB (0.44) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL257215 0.79 LMNA (0.46) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL27590802 0.77 TSHR (0.36) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL28133289 0.75 ALDH1A1 (0.39) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL19890147 0.72 CSNK1E (0.39) ALDH1A1CES2CES1DRD4DRD2
SCHEMBL27438928 0.72 ELANE (0.49) MAPTKMT2AHPGDTSHRCES2
SCHEMBL2045474 0.70 TSHR (0.44) MAPTALDH1A1TSHRCES2CES1
SCHEMBL2045476 0.70 TSHR (0.44) MAPTALDH1A1TSHRCES2CES1
SCHEMBL211460 0.70 TSHR (0.44) MAPTALDH1A1KMT2AHPGDCYP3A4

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
EP-1087967-A1 1,3-OXAZOLINE AND 1,3-THIAZOLINE DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS PESTICIDES Aventis CropScience GmbH (DE) 2001-04-04 EP disclosed
WO-1999065901-A1 1,3-OXAZOLINE AND 1,3-THIAZOLINE DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 1999-12-23 WO disclosed