SCHEMBL6545300

SCHEMBL6545300

CC(C)Cc1ccc2c(c1C(=O)OC(F)c1ccccc1)Cc1ccccc1O2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ULK1 O75385 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ABCC4 O15439 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL1386760 0.86 PPARA (0.32) ACSL1MAOAMAOB
SCHEMBL5705630 0.83 MAOA (0.41) ACSL1MAOAMAOBKDM4EABCC4
SCHEMBL1386991 0.83 MAOA (0.36) ACSL1MAOAMAOB
Potassium Ion SCHEMBL5407034 0.78 MAOA (0.38) ACSL1MAOAMAOB
Zinc Ion SCHEMBL10796545 0.78 MAOA (0.38) ACSL1MAOAMAOB
SCHEMBL9150242 0.78 MAOA (0.38) ACSL1MAOAMAOB
SCHEMBL1384404 0.76 KDM4E (0.41) MAOAMAOBRAB9AKDM4E
SCHEMBL2421075 0.74 MAOA (0.39) ACSL1MAOAMAOBKDM4EABCC4
SCHEMBL7509523 0.72 MAOA (0.44) ACSL1MAOAMAOBRAB9A
SCHEMBL2313646 0.71 MAOA (0.46) ACSL1MAOAMAOBKDM4EPTGS1

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-1373238-A1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES Council of Scientific and Industrial Research;an Indian Reg. body incorporated under Reg. of Societies Act (Act XXI of 1860) (IN) 2004-01-02 EP disclosed
WO-2002079179-A1 ALKYLXANTHATES AND THEIR USE AS PESTICIDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-10-10 WO disclosed