SCHEMBL9416709

SCHEMBL9416709

CCOC(=O)CC(=O)Nc1cc(F)cc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.48
PKM P14618 2/20 0.47
GAA P10253 3/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
MAPT P10636 3/20 0.44
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CASP3 P42574 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL28709820 0.84 KMT2A (0.69) TSHRMEN1KMT2APKMMAPT
SCHEMBL2711919 0.84 KMT2A (0.49) MEN1KMT2AALDH1A1
SCHEMBL680836 0.83 TSHR (0.69) TSHRMEN1KMT2AHPGDGAA
SCHEMBL28067898 0.81 KDM4E (0.60) MEN1KMT2AHPGDMAPTHSD17B10
SCHEMBL8880319 0.80 L3MBTL1 (0.59) TSHRMEN1KMT2AHPGDPKM
SCHEMBL13019006 0.78 KMT2A (0.56) TSHRMEN1KMT2AGAAMAPT
SCHEMBL6566870 0.78 HPGD (0.56) TSHRMEN1KMT2AHPGDPKM
SCHEMBL9830975 0.77 TOP2A (0.47) GAAMGAMSIMGAM2MAPT
SCHEMBL11437459 0.76 KMT2A (0.64) TSHRMEN1KMT2AGAAMAPT
SCHEMBL30174284 0.76 TSHR (0.52) TSHRMEN1KMT2AHPGDPKM

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
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
US-5292937-A Use of malonic acid derivative compounds for retarding plant growth RHONE-POULENC INC. (US) 1994-03-08 US disclosed
US-5123951-A Ethylene response inducing agent and malonic acid derivative RHONE-POULENC NEDERLAND B.V. (NL) 1992-06-23 US disclosed