SCHEMBL9768428

SCHEMBL9768428

O=c1[nH]c2cc(OCC3CO3)ccc2c2oc3cc(OCC4CO4)ccc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
TSHR P16473 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 8/20 0.40
HPGD P15428 7/20 0.40
MAPT P10636 8/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL9768410 0.92 ALDH1A1 (0.42) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL10669694 0.79 CA12 (0.43) CA12CA9CA1MAOAMAOB
SCHEMBL10670024 0.78 KDM4E (0.51) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL8584061 0.76 ALDH1A1 (0.54) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL9781442 0.76 MEN1 (0.35) ALDH1A1HIF1AKDM4EHPGDMAPT
SCHEMBL10668886 0.75 ALDH1A1 (0.54) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL10572539 0.74 KDM4E (0.58) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL19183532 0.74 ALDH1A1 (0.62) ALDH1A1TSHRTP53SMN1; SMN2KDM4E
SCHEMBL9781440 0.74 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EHPGDGAA
SCHEMBL9781415 0.74 KDM4E (0.55) ALDH1A1TSHRTP53SMN1; SMN2KDM4E

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-5073553-A Treatment or prevention of osteoporosis KISSEI PHARMACEUTICAL CO., LTD. (JP) 1991-12-17 US disclosed