SCHEMBL9778690

SCHEMBL9778690

CC1CCOC(c2ccc(OCCOc3ccccc3)cc2)O1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 2/20 0.39
LTA4H P09960 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSK P43235 1/20 0.37
KCNA3 P22001 1/20 0.37

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
SCHEMBL9778681 0.89 KDM4E (0.40) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10451177 0.87 MAOA (0.44) MAOBMAOANPC1ALDH1A1RAB9A
SCHEMBL10450818 0.84 NQO1 (0.42) MAOBMAOAALDH1A1SMN1; SMN2TDP1
SCHEMBL9778758 0.82 MAOB (0.42) MAOBMAOAALDH1A1RAB9ALTA4H
SCHEMBL9778747 0.82 MAOB (0.50) MAOBMAOAALDH1A1HTR1ALTA4H
SCHEMBL14413593 0.82 ALDH1A1 (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2HTR1A
SCHEMBL11892291 0.82 ALDH1A1 (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2HTR1A
SCHEMBL751413 0.82 ALDH1A1 (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2HTR1A
SCHEMBL9778767 0.81 MAOA (0.40) MAOBMAOA
SCHEMBL9778762 0.81 MAOA (0.40) MAOBMAOA

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