SCHEMBL11539552

SCHEMBL11539552

O=C(COc1ccc2c(c1)OCO2)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.61
WNT3A P56704 1/20 0.61
MAOB P27338 4/20 0.60
RAB9A P51151 8/20 0.57
NPC1 O15118 6/20 0.57
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
PKM P14618 1/20 0.57
POLB P06746 1/20 0.57
TRPM8 Q7Z2W7 1/20 0.57
FKBP1A P62942 1/20 0.56
MAOA P21397 2/20 0.56
LMNA P02545 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL2729496 0.83 FKBP1A (0.63) MAOBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL8389779 0.79 MAPT (0.62) MAOBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL28851447 0.79 FKBP1A (0.62) MAOBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2731663 0.79 FKBP1A (0.62) MAOBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9925462 0.78 KDM4E (0.68) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL28566805 0.78 FKBP1A (0.60) MAOBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL27957202 0.78 LMNA (0.74) CTNNB1WNT3AMAOBRAB9ANPC1
SCHEMBL9786970 0.78 MAPT (0.74) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL2394331 0.77 NPC1 (0.69) CTNNB1WNT3AMAOBRAB9ANPC1
SCHEMBL5007270 0.77 KDM4E (0.66) RAB9ANPC1MAPTPKMFKBP1A

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-4174403-A MICROBIOCIDES, BACTERICIDES RIKER LABORATORIES, INC. (US) 1979-11-13 US disclosed