SCHEMBL22192259

SCHEMBL22192259

O=C(O)c1ccc(Oc2ccc(NC(=O)c3ccc(Oc4ccc(C(=O)O)cc4)cc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.74
MITF O75030 1/20 0.66
NR1H4 Q96RI1 2/20 0.65
FFAR1 O14842 1/20 0.64
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
TP53 P04637 1/20 0.62
ALOX15 P16050 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
FAAH O00519 1/20 0.60
EPHX2 P34913 1/20 0.60
HDAC1 Q13547 1/20 0.58
POLB P06746 1/20 0.57
PARP15 Q460N3 1/20 0.56
PARP10 Q53GL7 1/20 0.56
KCNQ3 O43525 1/20 0.56
KCNQ2 O43526 1/20 0.56
KCNE1 P15382 1/20 0.56

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
SCHEMBL20513016 1.00 PGR (0.74) PGRMITFNR1H4FFAR1RAB9A
SCHEMBL22192258 0.89 PGR (0.93) PGRNR1H4RAB9ANPC1TP53
SCHEMBL900903 0.88 MITF (0.81) MITFFFAR1RAB9ANPC1MEN1
SCHEMBL28419632 0.88 MITF (0.81) MITFFFAR1RAB9ANPC1MEN1
SCHEMBL8827340 0.88 MITF (0.81) MITFFFAR1RAB9ANPC1MEN1
SCHEMBL22192227 0.87 NR1H4 (0.63) PGRMITFNR1H4RAB9ANPC1
SCHEMBL8361085 0.87 PGR (0.96) PGRNR1H4RAB9ANPC1SMN1; SMN2
SCHEMBL11729306 0.86 RAB9A (0.86) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL20513006 0.86 NR1H4 (0.70) PGRNR1H4RAB9ANPC1TP53
SCHEMBL19619022 0.85 PGR (0.86) PGRNR1H4RAB9ANPC1TP53

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