SCHEMBL20056516

SCHEMBL20056516

Cc1cc(-c2ccc(O)c(Cl)c2)ccc1C(=O)NC1CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
P2RX7 Q99572 1/20 0.46
POLB P06746 1/20 0.44
MAPK14 Q16539 3/20 0.43
USP30 Q70CQ3 1/20 0.43
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
TTK P33981 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL20056512 0.89 HPGD (0.62) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL178430 0.75 TAS1R3 (0.66) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL15341542 0.74 NPC1 (0.54) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL242628 0.73 MAPK11 (0.63) MAPK14
SCHEMBL104335 0.73 NPC1 (0.50) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL455691 0.73 RAB9A (0.53) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL10282412 0.73 RAB9A (0.86) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL3233932 0.73 NPC1 (0.53) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL22490276 0.72 HPGD (0.66) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL28378463 0.71 HPGD (0.69) HPGDNPC1RAB9ATAS1R3TAS1R1

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-2970353-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-04-18 EP disclosed