SCHEMBL7890171

SCHEMBL7890171

Nc1ccc(OCC2OCCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
TSHR P16473 4/20 0.45
NFE2L2 Q16236 1/20 0.42
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
MAOB P27338 2/20 0.40
RAB9A P51151 2/20 0.40
MAOA P21397 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL16982221 0.84 TDP1 (0.42) TDP1TSHRGAAMAPTSMN1; SMN2
SCHEMBL9781216 0.81 MAOB (0.43) TDP1NFE2L2MAOB
SCHEMBL4764762 0.81 APP (0.44) TDP1TSHRGAAMAPTALDH1A1
SCHEMBL9840578 0.81 PKM (0.51) TDP1TSHRGAAMAPTL3MBTL1
SCHEMBL11284846 0.80 TDP1 (0.62) TDP1TSHRSMN1; SMN2ALDH1A1TP53
SCHEMBL3469730 0.78 TDP1 (0.66) TDP1TSHRNFE2L2GAAMAPT
SCHEMBL13948475 0.78 TDP1 (0.66) TDP1TSHRNFE2L2GAAMAPT
SCHEMBL11942200 0.78 FKBP1A (0.47) TDP1TSHRMAPTRAB9ASMN1; SMN2
SCHEMBL9778566 0.78 FFAR4 (0.50) TDP1RAB9AALDH1A1MEN1KMT2A
SCHEMBL4770317 0.78 TDP1 (0.38) TDP1TSHRGAAMAPTRAB9A

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
US-6169091-B1 TREATMENT OF PSORIASIS, FIBROSIS, ATHEROSCLEROSIS, RESTENOSIS, AUTO-IMMUNE DISEASE, ALLERGY, ASTHMA GLAXO WELLCOME INC. 2001-01-02 US disclosed
EP-0861253-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-09-02 EP disclosed
EP-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 EP disclosed
WO-1997013771-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1997-04-17 WO disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 WO disclosed