SCHEMBL5717741

SCHEMBL5717741

O=C(O)C(Nc1ccc2c(c1)OCO2)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.56
NPC1 O15118 9/20 0.56
ALDH1A1 P00352 7/20 0.53
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 6/20 0.52
HPGD P15428 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
GSK3B P49841 1/20 0.50
DHODH Q02127 1/20 0.50
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49

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
SCHEMBL5717797 0.89 RAB9A (0.54) RAB9ANPC1ALDH1A1TSHRSMN1; SMN2
SCHEMBL20379160 0.87 RAB9A (0.55) RAB9ANPC1ALDH1A1TSHRSMN1; SMN2
SCHEMBL21530809 0.78 NPC1 (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL21530808 0.78 NPC1 (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29714984 0.78 TSHR (0.58) RAB9ANPC1ALDH1A1TSHRSMN1; SMN2
SCHEMBL4420607 0.78 TSHR (0.58) RAB9ANPC1ALDH1A1TSHRSMN1; SMN2
SCHEMBL4420610 0.78 TSHR (0.58) RAB9ANPC1ALDH1A1TSHRSMN1; SMN2
SCHEMBL5882351 0.77 SMN1; SMN2 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL7328683 0.76 RAB9A (0.59) RAB9ANPC1ALDH1A1TSHRSMN1; SMN2
SCHEMBL5882816 0.76 ITGB3 (0.57) RAB9ANPC1SMN1; SMN2

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-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed