SCHEMBL9778797

SCHEMBL9778797

c1ccc(OCCOc2ccc(C3SCCCS3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAOA P21397 3/20 0.44
KCNA3 P22001 1/20 0.44
PKM P14618 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MAPT P10636 3/20 0.41
LTA4H P09960 3/20 0.41
RECQL P46063 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PLA2G2A P14555 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL9778698 0.93 ALDH1A1 (0.51) MAOBALDH1A1KDM4ELMNAMAOA
SCHEMBL9778688 0.88 ALDH1A1 (0.50) MAOBALDH1A1KDM4ELMNAMAOA
SCHEMBL9778652 0.88 KCNA3 (0.55) MAOBALDH1A1KDM4ELMNAMAOA
SCHEMBL9778501 0.88 NPC1 (0.51) MAOBALDH1A1KDM4ELMNAMAOA
SCHEMBL9778825 0.86 MAOB (0.51) MAOBMAOALTA4HRAB9A
SCHEMBL3693437 0.86 LMNA (0.48) MAOBALDH1A1KDM4ELMNAMAOA
SCHEMBL9778658 0.86 MAOB (0.44) MAOBALDH1A1KDM4ELMNAMAOA
SCHEMBL9778636 0.85 MAPT (0.54) MAOBALDH1A1KDM4ELMNAMAOA
SCHEMBL9778855 0.85 MAOB (0.49) MAOBALDH1A1KDM4ELMNAMAPT
SCHEMBL9778760 0.85 KDM4E (0.45) MAOBALDH1A1KDM4ELMNAMAOA

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