SCHEMBL9147252

SCHEMBL9147252

O=C(Nc1ccc(C(=O)O)c(O)c1)OCCOCCOc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 6/20 0.58
MEN1 O00255 4/20 0.58
MAPK1 P28482 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
CYP2C19 P33261 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL9149732 0.96 RAB9A (0.66) RAB9ANPC1TSHRSMN1; SMN2KMT2A
SCHEMBL9153878 0.91 KDM4E (0.63) RAB9ANPC1TSHRSMN1; SMN2KMT2A
SCHEMBL9151140 0.86 KDM4E (0.67) RAB9ANPC1TSHRSMN1; SMN2KMT2A
SCHEMBL9149368 0.86 KMT2A (0.58) RAB9ANPC1TSHRSMN1; SMN2KMT2A
SCHEMBL8652016 0.86 LMNA (0.65) RAB9ANPC1TSHRSMN1; SMN2KMT2A
SCHEMBL9149403 0.85 RAB9A (0.59) RAB9ANPC1TSHRSMN1; SMN2KMT2A
SCHEMBL9150484 0.84 PKM (0.51) RAB9ANPC1TSHRSMN1; SMN2KMT2A
SCHEMBL9151596 0.83 MGLL (0.62) RAB9ANPC1TSHRSMN1; SMN2KMT2A
SCHEMBL9146924 0.82 RAB9A (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL7760683 0.81 PKM (0.54) TSHRKMT2AMAPK1ALDH1A1KDM4E

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-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 US disclosed