SCHEMBL28524154

SCHEMBL28524154

O=C(O)c1cc(-c2ccco2)on1.O=C(O)c1cc(-c2ccco2)on1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.61
NPC1 O15118 8/20 0.61
TSHR P16473 2/20 0.61
ALDH1A1 P00352 7/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HPGD P15428 4/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 2/20 0.58
PLA2G1B P04054 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
CYP1A2 P05177 1/20 0.58
TP53 P04637 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 3/20 0.57
PTPN1 P18031 1/20 0.57
HTT P42858 1/20 0.57
KDM4E B2RXH2 1/20 0.57
HSD17B10 Q99714 1/20 0.57
POLB P06746 3/20 0.57
MEN1 O00255 2/20 0.57

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
SCHEMBL569522 1.00 RAB9A (0.61) RAB9ANPC1TSHRALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL19118898 0.98 RAB9A (0.60) RAB9ANPC1TSHRALDH1A1SMN1; SMN2
SCHEMBL29751589 0.84 RAB9A (0.60) RAB9ANPC1TSHRALDH1A1SMN1; SMN2
SCHEMBL17777361 0.84 RAB9A (0.64) RAB9ANPC1TSHRALDH1A1SMN1; SMN2
SCHEMBL892624 0.84 KMT2A (0.61) RAB9ANPC1TSHRALDH1A1SMN1; SMN2
SCHEMBL1474427 0.83 ALDH1A1 (0.58) RAB9ANPC1TSHRALDH1A1SMN1; SMN2
SCHEMBL25415861 0.80 RAB9A (0.72) RAB9ANPC1TSHRALDH1A1SMN1; SMN2
SCHEMBL17742729 0.80 ALDH1A1 (0.64) RAB9ANPC1TSHRALDH1A1SMN1; SMN2
SCHEMBL4129575 0.80 RAB9A (0.70) RAB9ANPC1TSHRALDH1A1SMN1; SMN2
SCHEMBL17773167 0.80 RAB9A (0.59) RAB9ANPC1TSHRALDH1A1SMN1; 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
CN-112313224-A ATF6 inhibitors and uses thereof 黑带医疗有限责任公司 2021-02-02 CN disclosed