SCHEMBL9853987

SCHEMBL9853987

O=C(OC(=O)c1ccc[nH]1)c1ccc[nH]1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.48
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
THRB P10828 1/20 0.45
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2D6 P10635 1/20 0.41

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
SCHEMBL16963065 0.88 RAB9A (0.61) RAB9ASMN1; SMN2GAATSHRNPC1
SCHEMBL5320628 0.82 TSHR (0.54) RAB9ASMN1; SMN2TSHRNPC1MEN1
SCHEMBL11101219 0.82
SCHEMBL28202887 0.82
SCHEMBL520445 0.82
SCHEMBL29020264 0.81 RAB9A (0.40) RAB9ASMN1; SMN2GAATSHRNPC1
Hydrochloric Acid SCHEMBL28479173 0.80 RAB9A (0.46) RAB9ASMN1; SMN2GAATSHRNPC1
Ammonia Solution, Strong SCHEMBL28522761 0.80 RAB9A (0.46) RAB9ASMN1; SMN2GAATSHRNPC1
SCHEMBL28349066 0.80 ALDH1A1 (0.45) RAB9ASMN1; SMN2GAATSHRNPC1
SCHEMBL29225352 0.79 RAB9A (0.54) RAB9ASMN1; SMN2GAATSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114088855-A Feces biomarker for early diagnosis of tibial cartilage dysplasia of broiler chicken and application thereof 河南农业大学 2022-02-25 CN disclosed
US-20190214145-A1 Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen KUREK ITZHAK (US) 2019-07-11 US disclosed
CN-1051178-A New heterogeneous ring compound and preparation method thereof YAMANOUCHI PHARMA CO LTD (JP) 1991-05-08 CN disclosed
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 EP disclosed
US-3966938-A Treatment of thrombosis and the inhibition of blood platelet aggregation SANDOZ LTD. (CH) 1976-06-29 US disclosed