SCHEMBL17200009

SCHEMBL17200009

O=C(O)Oc1cc(C2CC2)on1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 8/20 0.44
S1PR1 P21453 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
STAT1 P42224 2/20 0.43
SMYD3 Q9H7B4 3/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
STAT3 P40763 2/20 0.40
HPGD P15428 1/20 0.40
CHRNA4 P43681 1/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL29011015 0.85 S1PR3 (0.43) S1PR3S1PR1RAB9ANPC1STAT1
SCHEMBL841342 0.74 S1PR3 (0.57) S1PR3S1PR1RAB9ANPC1STAT1
SCHEMBL28856869 0.72 S1PR3 (0.58) S1PR3S1PR1RAB9ANPC1STAT1
SCHEMBL875579 0.71 TMPRSS15 (0.49) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL18606260 0.70 SLC6A3 (0.48) S1PR3S1PR1RAB9ANPC1STAT1
SCHEMBL3062466 0.69 RAB9A (0.56) S1PR3S1PR1RAB9ANPC1STAT1
SCHEMBL13835610 0.69 RAB9A (0.56) S1PR3S1PR1RAB9ANPC1STAT1
SCHEMBL20305303 0.69 SMN1; SMN2 (0.65) S1PR3S1PR1RAB9ANPC1STAT1
SCHEMBL22554186 0.68 S1PR3 (0.62) S1PR3S1PR1RAB9ANPC1STAT1
SCHEMBL892137 0.68 S1PR3 (0.62) S1PR3S1PR1RAB9ANPC1STAT1

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
EP-2635567-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2015-10-28 EP claimed