SCHEMBL5082176

SCHEMBL5082176

O=C(O)C1C(C(=O)OC(=O)C2C(C(=O)O)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)N(Cc2ccccc2)C(=O)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.47
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
ELANE P08246 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
CTRC Q99895 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
EP300 Q09472 1/20 0.40
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL22130803 0.90 EHMT2 (0.56) EHMT2F2PLGELANECTSG
SCHEMBL351271 0.90 EHMT2 (0.56) EHMT2F2PLGELANECTSG
SCHEMBL353717 0.90 EHMT2 (0.56) EHMT2F2PLGELANECTSG
SCHEMBL9030374 0.88 ALDH1A1 (0.50) EHMT2ALDH1A1TDP1KMT2AMEN1
SCHEMBL9030364 0.88 ALDH1A1 (0.50) EHMT2ALDH1A1TDP1KMT2AMEN1
SCHEMBL10721577 0.88 ALDH1A1 (0.50) EHMT2ALDH1A1TDP1KMT2AMEN1
SCHEMBL11177434 0.88 ALDH1A1 (0.50) EHMT2ALDH1A1TDP1KMT2AMEN1
SCHEMBL9032781 0.88 ALDH1A1 (0.50) EHMT2ALDH1A1TDP1KMT2AMEN1
SCHEMBL11199133 0.88 ALDH1A1 (0.50) EHMT2ALDH1A1TDP1KMT2AMEN1
SCHEMBL9031613 0.88 ALDH1A1 (0.50) EHMT2ALDH1A1TDP1KMT2AMEN1

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
WO-2008071696-A1 IMPROVED PROCESS FOR PREPARING SUBSTITUTED CARBOXYLIC ANHYDRIDES DSM IP ASSETS BV (CH) 2008-06-19 WO disclosed