SCHEMBL8630858

SCHEMBL8630858

CCCCCOc1ccc2cc(C=O)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PLA2G4A P47712 1/20 0.49
AHR P35869 1/20 0.49
THRA P10827 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47

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
SCHEMBL4745749 0.98 PLA2G4A (0.51) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL4750053 0.98 PLA2G4A (0.51) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL4745997 0.98 PLA2G4A (0.51) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL7279329 0.98 PLA2G4A (0.51) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL4749153 0.98 PLA2G4A (0.51) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL7273053 0.97 ALDH1A1 (0.54) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL1443663 0.84 ALDH1A1 (0.69) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL12109743 0.84 AHR (0.53) PLA2G4AAHRTHRACA12CA1
SCHEMBL1864244 0.83 ALDH1A1 (0.67) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL1164373 0.83 ALDH1A1 (0.67) ALDH1A1LMNAMAPTHPGDSMN1; SMN2

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
JP-10265427-A None JP disclosed
CN-101602795-B Cyclohexalipopeptide amine antifungal compound, salts and preparation method thereof ARMY MEDICAL UNIV. NO.2, CHINESE PLA (CN) 2011-12-21 CN disclosed
CN-101602795-A Cyclohexalipopeptideamine amine antifungal compound and its esters and preparation method UNIV PLA 2ND MILITARY MEDICAL (CN) 2009-12-16 CN disclosed
JP-H10265427-A PRODUCTION OF 6HYDROXY-2NAPHTHALDEHYDE AND RELATING COMPOUNDS SUMIKIN CHEM KK 1998-10-06 JP disclosed