SCHEMBL9128908

SCHEMBL9128908

CCOC(=O)c1ccc(OCc2ccc(C=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
MAOB P27338 3/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ESR1 P03372 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
ESR2 Q92731 1/20 0.51

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
SCHEMBL10464779 0.86 NPC1 (0.73) RAB9ANPC1RXRARXRBMAPT
SCHEMBL18259961 0.86 NPC1 (0.73) RAB9ANPC1RXRARXRBMAPT
SCHEMBL11601531 0.85 MAOB (0.69) RAB9ANPC1RXRARXRBMAPT
SCHEMBL4058623 0.85 MAOB (0.69) RAB9ANPC1RXRARXRBMAPT
SCHEMBL528212 0.85 CA1 (0.63) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL1303551 0.84 NPC1 (0.68) RAB9ANPC1RXRARXRBMAPT
SCHEMBL8016724 0.84 PARP10 (0.58) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL18946710 0.83 RAB9A (0.68) RAB9ANPC1RXRARXRBMAPT
SCHEMBL11603134 0.83 MAOB (0.68) RAB9ANPC1RXRARXRBMAPT
SCHEMBL11601734 0.83 MAOB (0.68) RAB9ANPC1RXRARXRBMAPT

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-5399575-A Antiallergens BOEHRINGER MANNHEIM GMBH (DE) 1995-03-21 US disclosed