SCHEMBL8638602

SCHEMBL8638602

CCOc1ccc(Oc2ccc(O)cc2C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.59
MAPT P10636 6/20 0.46
NQO1 P15559 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
CACNA1C Q13936 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
CNR2 P34972 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
SCHEMBL9715457 0.89 MEN1 (0.46) LTA4HSLC6A4
SCHEMBL8634177 0.83 KMT2A (0.39) LTA4HALDH1A1ACACBACACA
SCHEMBL6063658 0.80 LTA4H (0.45) LTA4H
SCHEMBL7263477 0.78 TAAR5 (0.48) LTA4HMAPTLMNAMAPK1GAA
SCHEMBL465786 0.78 HTR2A (0.47) LTA4HLMNASLC6A2SLC6A4
SCHEMBL10882812 0.77 LTA4H (0.61) LTA4HMAPTL3MBTL1LMNAATM
SCHEMBL8633420 0.76 MAPT (0.42) LTA4HMAPTNQO1L3MBTL1LMNA
SCHEMBL8632756 0.76 MAPT (0.39) LTA4HMAPTNQO1L3MBTL1LMNA
SCHEMBL11320519 0.75 LTA4H (1.00) LTA4HNQO1TDP1
SCHEMBL18929969 0.74 NQO1 (0.50) MAPTNQO1L3MBTL1ALDH1A1TDP1

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
CN-1080251-C Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use inproduct of said dihalopropene compounds SUMITOMO CHEMICAL CO (JP) 2002-03-06 CN disclosed
EP-0648729-B1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL CO (JP) 1998-07-15 EP disclosed
US-5698702-A INTERMEDIATES FOR INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-16 US disclosed
US-5530015-A Dihaloprene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient, and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-25 US disclosed
EP-0648729-A1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed