SCHEMBL981029

SCHEMBL981029

O=C1C=C(Cc2ccccc2)CO1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.42
SORT1 Q99523 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
IDH1 O75874 1/20 0.39
DAO P14920 1/20 0.38
PTPN1 P18031 1/20 0.38
CTRC Q99895 3/20 0.37
DHFR P00374 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.35
ELANE P08246 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL14013661 0.73 ALOX5 (0.41) CALM1MAOAMAOBMEN1KMT2A
SCHEMBL1923108 0.71 CALM1 (0.58) CALM1IDH1DAO
SCHEMBL3033442 0.71 CYP2C19 (0.41) PTPN1KMT2A
SCHEMBL3036155 0.71 POLB (0.53) MAOACA1MEN1ELANEKMT2A
SCHEMBL419742 0.70
SCHEMBL979771 0.70
SCHEMBL4866616 0.69 CALM1 (0.44) CALM1SORT1MAOAMAOBIDH1
SCHEMBL14861039 0.69 NAAA (0.44) MAOAMAOB
SCHEMBL6513885 0.68 CALM1 (0.42) CALM1SORT1MAOAMAOBIDH1
SCHEMBL979881 0.67 KMT2A (0.45) MAOAMAOBCA1CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4208275-A None JP disclosed
US-20110014504-A1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-20 US disclosed
US-20080311478-A1 Lithium Secondary Battery MITSUBISHI CHEMICAL CORPORATION (JP) 2008-12-18 US disclosed
EP-1892789-A1 LITHIUM SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2008-02-27 EP disclosed
JP-H04208275-A INTERMEDIATE FOR SYNTHESIS OF SUBSTITUTED FURANONES AND PRODUCTION THEREOF TAISHO PHARMACEUT CO LTD 1992-07-29 JP disclosed