SCHEMBL3633588

SCHEMBL3633588

CCCC(=O)C1(c2ccccc2)C(=O)NN(c2ccccc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 4/20 0.35
MEN1 O00255 1/20 0.35
ALOX12 P18054 1/20 0.35
ELANE P08246 2/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 3/20 0.34
TSHR P16473 1/20 0.34
GFER P55789 1/20 0.34
MAPT P10636 1/20 0.33
G6PD P11413 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33

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
SCHEMBL68540 0.71 MMP2 (0.54) KMT2ALMNAGAAMEN1ALOX12
SCHEMBL11119770 0.70 OPRM1 (0.36) KMT2ALMNAGAAMEN1ALOX12
SCHEMBL267675 0.69 ELANE (0.56) KMT2ALMNAGAAMEN1ALOX12
SCHEMBL265915 0.67 GAA (0.41) KMT2ALMNAGAAMEN1ALOX12
SCHEMBL4412405 0.67 GAA (0.50) KMT2ALMNAGAAMEN1ALOX12
SCHEMBL8905488 0.67 OPRM1 (0.38) KMT2ALMNAGAAMEN1ALOX12
SCHEMBL8597730 0.67 MMP2 (0.48) KMT2ALMNAGAAMEN1ALOX12
SCHEMBL6811886 0.63 HSD17B10 (0.44) KMT2ALMNAGAAMEN1ALOX12
SCHEMBL27851038 0.62 AKR1C1 (0.48)
SCHEMBL6889612 0.62 MEN1 (0.36) KMT2AGAAMEN1ALOX12ELANE

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-2150247-A1 POLYETHYLENE GLYCOL ESTERS AND COSMETIC AND/OR DERMATOLOGICAL PREPARATIONS Symrise GmbH & Co. KG (DE) 2010-02-10 EP disclosed
WO-2008128892-A1 POLYETHYLENE GLYCOL ESTERS AND COSMETIC AND/OR DERMATOLOGICAL PREPARATIONS SYMRISE GMBH & CO. KG (DE) 2008-10-30 WO disclosed