SCHEMBL22192206

SCHEMBL22192206

COc1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.89
NPC1 O15118 10/20 0.89
SMN1; SMN2 Q16637 6/20 0.89
TP53 P04637 4/20 0.89
ALOX15 P16050 1/20 0.89
LMNA P02545 2/20 0.73
ALDH1A1 P00352 5/20 0.71
CYP1A2 P05177 2/20 0.71
KDM4E B2RXH2 1/20 0.71
KMT2A Q03164 5/20 0.70
MEN1 O00255 2/20 0.70
GAA P10253 2/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
PGR P06401 2/20 0.68
RAF1 P04049 1/20 0.67
ARAF P10398 1/20 0.67
BRAF P15056 1/20 0.67

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
SCHEMBL6799157 0.94 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL13306328 0.91 RAB9A (0.86) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6361263 0.89 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL30341896 0.89 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8769709 0.89 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8770881 0.89 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22192240 0.89 PGR (0.72) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8398096 0.88 RAB9A (0.86) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22640296 0.88 RAB9A (0.86) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL5399964 0.88 RAB9A (0.86) RAB9ANPC1SMN1; SMN2TP53ALOX15

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-10703911-B2 Organic colorant, coloring composition, and inkjet ink RICOH COMPANY, LTD. (JP) 2020-07-07 US disclosed