SCHEMBL8334256

SCHEMBL8334256

CCCc1c(O)c(C=CC(=O)c2ccccc2)c(OCC)c(CCC)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
KMT2A Q03164 2/20 0.50
MAOB P27338 3/20 0.47
MAOA P21397 1/20 0.47
PTGS1 P23219 1/20 0.47
PKM P14618 2/20 0.42
LMNA P02545 3/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP1B1 Q16678 3/20 0.40
CYP1A1 P04798 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
BCHE P06276 4/20 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
SCHEMBL8334253 1.00 MAPT (0.50) MAPTRAB9ANPC1KMT2AMAOB
SCHEMBL8146385 0.79 MAPT (0.62) MAPTRAB9ANPC1KMT2AMAOB
SCHEMBL28140741 0.78 MAPT (0.52) MAPTRAB9ANPC1KMT2AMAOB
SCHEMBL8159019 0.78 MAPT (0.54) MAPTRAB9ANPC1KMT2AMAOB
SCHEMBL7187442 0.73 MAOB (0.51) MAPTMAOBMAOALMNASMN1; SMN2
SCHEMBL7187449 0.73 MAOB (0.51) MAPTMAOBMAOALMNASMN1; SMN2
SCHEMBL7186566 0.72 ABCG2 (0.55) MAPTRAB9AMAOBMAOALMNA
SCHEMBL7186568 0.72 ABCG2 (0.55) MAPTRAB9AMAOBMAOALMNA
SCHEMBL8160069 0.71 MAPT (0.52) MAPTRAB9ANPC1KMT2AMAOB
SCHEMBL7180100 0.71 ABCG2 (0.49) MAPTRAB9ANPC1MAOBLMNA

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-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed