SCHEMBL11013012

SCHEMBL11013012

CCOC(=O)C(C)(C)c1ccc2ncccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ PLK1 P53350 1/20 0.44
▸ F2 P00734 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ ALOX5 P09917 2/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL1163211 0.86 ACSS2 (0.52) ALOX15HTTALDH1A1KDM4ENPC1
SCHEMBL3603329 0.85 ALOX15 (0.57) ALOX15HTTALDH1A1NPC1RAB9A
SCHEMBL12049554 0.80 HTT (0.50) ALOX15HTTALDH1A1KDM4ENPC1
SCHEMBL9423122 0.80 MAOB (0.47) MAOBALDH1A1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL3590574 0.79 PABPC1 (0.49) ALOX15HTTALDH1A1KDM4ENPC1
SCHEMBL28065794 0.79 NPC1 (0.50) ALOX15HTTALDH1A1KDM4ENPC1
SCHEMBL11016295 0.79 PTPN6 (0.51) MAOBHTTALDH1A1KDM4ENPC1
SCHEMBL21162763 0.77 ALDH1A1 (0.49) ALOX15HTTALDH1A1KDM4ENPC1
SCHEMBL1163248 0.77 HTT (0.50) ALOX15HTTALDH1A1KDM4ENPC1
SCHEMBL828067 0.75 ALOX15 (0.71) ALOX15HTTALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4555513-A 1,2 Dihydro- and 1,2,3,4-tetrahydro quinolylacetic acids and analgesic use thereof NIPPON ZOKI PHARMACEUTICAL CO. (JP) 1985-11-26 — — US disclosed
EP-0083222-A1 New quinolylacetic acid compounds and pharmaceutical compositions containing them NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1983-07-06 — — EP disclosed
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