SCHEMBL9778698

SCHEMBL9778698

c1ccc(OCCOc2ccc(C3SCCS3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
MAOB P27338 5/20 0.50
KCNA3 P22001 1/20 0.47
MAOA P21397 3/20 0.46
MAPT P10636 3/20 0.46
PKM P14618 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
RECQL P46063 1/20 0.42
PARP10 Q53GL7 1/20 0.42
LTA4H P09960 2/20 0.42
PLA2G2A P14555 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9778652 0.95 KCNA3 (0.55) ALDH1A1KDM4ELMNAMAOBKCNA3
SCHEMBL9778688 0.95 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMAOBKCNA3
SCHEMBL9778797 0.93 MAOB (0.47) ALDH1A1KDM4ELMNAMAOBKCNA3
SCHEMBL9778498 0.87 NPC1 (0.54) ALDH1A1KDM4ELMNAMAOBMAOA
SCHEMBL9778718 0.85 MAOB (0.46) ALDH1A1KDM4ELMNAMAOBKCNA3
SCHEMBL9778765 0.84 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAMAOBMAPT
SCHEMBL9778699 0.84 MAPT (0.60) ALDH1A1KDM4ELMNAMAOBMAOA
SCHEMBL9778604 0.84 KDM4E (0.50) ALDH1A1KDM4ELMNAMAOBMAOA
SCHEMBL9778436 0.84 MAOB (0.51) ALDH1A1KDM4ELMNAMAOBMAPT
SCHEMBL9778805 0.83 KDM1A (0.52) ALDH1A1KDM4ELMNAMAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed