SCHEMBL16499157

SCHEMBL16499157

CC1=C(C(O)c2ccc(C#N)cc2)C(C)(C)CCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.34
▸ HSD11B1 P28845 2/20 0.34
▸ RARA P10276 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ AR P10275 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CYP11B2 P19099 2/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TOP2A P11388 1/20 0.32
▸ TOP2B Q02880 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31

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
SCHEMBL12813364 0.84 ALDH1A1 (0.34) RARBRARARARGRXRAALDH1A1
SCHEMBL12813412 0.82 SLC6A2 (0.35) HSD11B1RXRABRD4CYP1A2
SCHEMBL12813191 0.81 KMT2A (0.33) HSD11B1RXRAALDH1A1CYP1A2
SCHEMBL12813348 0.81 RXRA (0.38) RARBRARARARGRXRAL3MBTL1
SCHEMBL16499126 0.80 CYP11B1 (0.36) ARCYP11B2CYP11B1
SCHEMBL12813156 0.79 HPGD (0.35) RARBRARARARGRXRAL3MBTL1
SCHEMBL12813371 0.78 CETP (0.35) HSD11B1CYP11B2CYP11B1TOP2ATOP2B
SCHEMBL12813698 0.77 RXRA (0.33) RARBRARARARGRXRACYP1A2
SCHEMBL12813382 0.75 HSD11B1 (0.34) RARBHSD11B1RXRACYP11B2CYP11B1
SCHEMBL12813419 0.75 SLC6A4 (0.39) HSD11B1ALDH1A1TOP2ATOP2B

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-2011155983-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC. (US) 2011-12-15 — — WO disclosed
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