SCHEMBL28228164

SCHEMBL28228164

CC(C)(Cc1ccc(Br)cc1C(C)(C)C)OC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ RBP4 P02753 1/20 0.39
▸ USP2 O75604 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ RAB9A P51151 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ LMNA P02545 3/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ NPC1 O15118 3/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL27767987 0.84 AAK1 (0.37) PTGDR2RAB9ASMN1; SMN2KMT2ADGAT1
SCHEMBL27698022 0.83 DGAT1 (0.44) KMT2ADGAT1AAK1MEN1
SCHEMBL27890513 0.80 HPGD (0.38) PTGDR2LMNAKMT2ACYP3A4CYP1A2
SCHEMBL27681179 0.79 MEN1 (0.38) RAB9ASMN1; SMN2KMT2ACYP1A2MEN1
SCHEMBL27844219 0.77 AAK1 (0.45) RAB9ASMN1; SMN2NPC1AAK1
SCHEMBL2491151 0.75 CYP3A4 (0.48) LMNAKMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL27730118 0.74 CYP3A4 (0.42) RAB9ASMN1; SMN2LMNAKMT2ANPC1
SCHEMBL17593303 0.74 NR1H2 (0.44) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL28784454 0.74 SLC22A12 (0.40) CYP3A4CYP1A2CYP2C9CYP2C19AAK1
SCHEMBL27541465 0.74 PARP15 (0.46) —

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-105377851-B BET bromodomain inhibitors and therapeutic methods using these inhibitors 密执安州立大学董事会 2018-07-20 — — CN disclosed
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