SCHEMBL9807668

SCHEMBL9807668

CCOC(=O)NC1CC(=O)C(C(=O)c2ccc(Cl)cc2Cl)C(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
ALOX12 P18054 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL9807692 0.80 MAPT (0.41) TDP1RAB9AKDM4EMAPTALDH1A1
SCHEMBL9807671 0.78 ALDH1A1 (0.45) RAB9AKDM4EMAPTALDH1A1HPGD
SCHEMBL10815118 0.74 SMN1; SMN2 (0.53) TDP1KMT2AMEN1RAB9AKDM4E
SCHEMBL7344969 0.72 TSHR (0.50) KDM4EMAPTALDH1A1MAPK1CYP3A4
SCHEMBL9874230 0.70 P2RX7 (0.49) KMT2AMEN1RAB9AKDM4EMAPT
SCHEMBL9807672 0.70 NFKB1 (0.44) NFKB1NFKB2RELAKDM4EMAPT
SCHEMBL9814786 0.69 SMN1; SMN2 (0.47) TDP1KMT2AMEN1RAB9AKDM4E
SCHEMBL522136 0.68 KMT2A (0.59) TDP1KMT2AKDM4EMAPTALDH1A1
SCHEMBL9467111 0.67 SMN1; SMN2 (0.39) TDP1RAB9AKDM4EMAPTALDH1A1
SCHEMBL29364863 0.67 TDP1 (0.62) TDP1KMT2AMEN1RAB9AATM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278907-B1 CYCLOHEXANE DIONES CIBA-GEIGY AG (CH) 1991-05-29 EP claimed
US-4872902-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1989-10-10 US claimed
EP-0278907-A1 Cyclohexane diones CIBA-GEIGY AG (CH) 1988-08-17 EP claimed
EP-0278907-B1 CYCLOHEXANE DIONES CIBA-GEIGY AG (CH) 1991-05-29 EP disclosed
US-4872902-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1989-10-10 US disclosed
EP-0278907-A1 Cyclohexane diones CIBA-GEIGY AG (CH) 1988-08-17 EP disclosed