SCHEMBL28860732

SCHEMBL28860732

CCOC(=O)C(C)(C)c1ccc(CN)c(CO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.43
▸ F2 P00734 3/20 0.40
▸ F10 P00742 2/20 0.40
▸ PLG P00747 2/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ RORC P51449 1/20 0.38
▸ CACNA1B Q00975 1/20 0.37
▸ KLF10 Q13118 1/20 0.36
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ MAOB P27338 1/20 0.33

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
SCHEMBL28860731 0.84 ESR1 (0.35) CNR2KLF10CYP4F2CYP4A11ABCB11
SCHEMBL28160417 0.77 CNR2 (0.57) CNR2F2F10PLGPRSS1
SCHEMBL15630699 0.76 RORC (0.51) CNR2F2F10PLGPRSS1
SCHEMBL10228098 0.76 CNR2 (0.51) CNR2F2F10PLGPRSS1
SCHEMBL4624085 0.75 KLF10 (0.47) PLGKLF10CYP1A2MAOB
SCHEMBL22992388 0.75 CNR2 (0.48) CNR2F2F10PLGPRSS1
SCHEMBL30546502 0.75 CNR2 (0.48) CNR2F2F10PLGPRSS1
Hydrochloric Acid SCHEMBL15609606 0.75 RORC (0.50) CNR2F2F10PLGPRSS1
SCHEMBL28160919 0.74 CNR2 (0.59) CNR2F2F10PLGPRSS1
SCHEMBL27775464 0.74 CNR2 (0.45) CNR2F2F10PLGPRSS1

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
CN-108112251-A NRF2 conditioning agents 葛兰素史克知识产权发展有限公司 2018-06-01 — — CN disclosed
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