SCHEMBL6994833

SCHEMBL6994833

CC(=O)Cc1cc2c(cc1C(=O)c1ccccc1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.51
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP3A4 P08684 1/20 0.48
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
ALDH1A1 P00352 4/20 0.46
GLA P06280 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SRD5A2 P31213 1/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP2C8 P10632 1/20 0.43

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
SCHEMBL6754934 0.88 CTNNB1 (0.49) CASP1CYP1A2CYP2C9POLBTHRB
SCHEMBL6626291 0.85 MEN1 (0.49) CASP1CYP1A2CYP2C9POLBTHRB
SCHEMBL6749524 0.81 CYP1A2 (0.46) CASP1CYP1A2CYP2C9POLBTHRB
SCHEMBL6753020 0.79 MAPT (0.53) CTNNB1WNT3AALDH1A1NPSR1SRD5A2
SCHEMBL10999598 0.79 KDM4E (0.54) CASP1CYP1A2CYP2C9POLBTHRB
SCHEMBL3523469 0.77 MAPT (0.61) CASP1CYP1A2CYP2C9POLBTHRB
SCHEMBL6752817 0.76 CYP1A2 (0.43) CASP1CYP1A2CYP2C9POLBTHRB
SCHEMBL3519622 0.76 CASP1 (0.85) CASP1CYP1A2CYP2C9POLBTHRB
SCHEMBL6753683 0.76 MAPT (0.53) ALDH1A1NPSR1KDM4ETSHRSRD5A2
SCHEMBL11856611 0.76 MAPT (0.55) CASP1CYP1A2CYP2C9POLBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015457-B1 1,3-DIOXOLO/4,5-H//2,3/BENZODIAZEPINE DERIVATIVES AS AMPA/KAINATE RECEPTOR INHIBITORS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-11-26 EP disclosed
EP-1003749-B1 8-SUBSTITUTED-9H-1,3-DIOXOLO/4,5-h/2,3/BENZODIAZEPINE DERIVATES, AS AMPA/KAINATERECEPTOR INHIBITORS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-10-22 EP disclosed
US-6562810-B1 Competitive AMPA/kainite antagonist properties making them useful in the treatment of diseases where inhibition of the AMPA/kainite receptors may a favorable effect EGIS GYOGYSZERGYAR RT. (HU) 2003-05-13 US disclosed
WO-2000053166-A2 USE OF CONDENSED 2,3-BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF DISEASES RELATED TO THE INHIBITION OF LIPID PEROXIDATION EGIS Gyógyszergyár Rt. (HU) 2000-09-14 WO disclosed