SCHEMBL9541197

SCHEMBL9541197

CCOC(=O)c1ccc(OCC)cc1CBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.51
▸ CYP4F2 P78329 1/20 0.48
▸ CYP4A11 Q02928 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ PKM P14618 1/20 0.47
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL3481117 0.88 HPGD (0.53) KDM4ECYP4F2CYP4A11ALDH1A1CA12
SCHEMBL27089477 0.83 HPGD (0.49) KDM4ECYP4F2CYP4A11ALDH1A1CA12
SCHEMBL13870603 0.83 CYP4F2 (0.51) KDM4ECYP4F2CYP4A11ALDH1A1CA12
SCHEMBL7765079 0.82 TSHR (0.58) KDM4EALDH1A1PKMCA12CA1
SCHEMBL5238335 0.81 SMN1; SMN2 (0.51) KDM4ECYP4F2CYP4A11ALDH1A1CA12
SCHEMBL1702411 0.81 CYP4F2 (0.66) CYP4F2CYP4A11ALDH1A1CA12CA1
SCHEMBL8322496 0.81 HPGD (0.50) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL9541238 0.81 KDM4E (0.53) KDM4EALDH1A1PKMCA12CA1
SCHEMBL11378327 0.80 KDM4E (0.44) KDM4ECYP4F2CYP4A11ALDH1A1PKM
SCHEMBL5250038 0.80 CYP4F2 (0.56) KDM4ECYP4F2CYP4A11PKMCA12

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
WO-1993014086-A1 SUBSTITUTED 1-ISOQUINOLONE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-07-22 — — WO disclosed
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