SCHEMBL8053341

SCHEMBL8053341

Cc1cccc(C(=O)NCCN(CC2Cc3ccccc3O2)C(=O)OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
OPRK1 P41145 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
OPRM1 P35372 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH1 P35367 1/20 0.37
HSP90AA1 P07900 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL8053562 0.91 HPGD (0.42) RAB9ANPC1HPGDSIGMAR1SMN1; SMN2
SCHEMBL8046943 0.86 CCR6 (0.47) RAB9ANPC1HPGDSIGMAR1SMN1; SMN2
SCHEMBL8047896 0.85 NPC1 (0.45) RAB9ANPC1SIGMAR1SMN1; SMN2KMT2A
SCHEMBL8047459 0.85 NPC1 (0.49) RAB9ANPC1CTDSP1TDP1OPRK1
SCHEMBL8788877 0.82 NR1D1 (0.39) NPC1HPGDKDM4ELMNA
SCHEMBL8050607 0.80 SIGMAR1 (0.50) RAB9ANPC1SIGMAR1
SCHEMBL8787265 0.77 CCR6 (0.42) HPGDKDM4ESIGMAR1
SCHEMBL8045655 0.77 HPGD (0.48) RAB9ANPC1OPRK1HPGDHSD17B10
SCHEMBL8035576 0.75 HPGD (0.47) RAB9ANPC1OPRK1HPGDHSD17B10
SCHEMBL8048207 0.75 SIGMAR1 (0.45) RAB9ANPC1OPRK1HPGDSIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679649-B1 2,3-Dihydrobenzofuran Derivatives ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
EP-0679649-A1 2,3-DIHYDROBENZOFURAN DERIVATIVE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-11-02 EP disclosed