SCHEMBL27538003

SCHEMBL27538003

CCCc1cc(Br)c(OC(=O)c2ccccc2)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 11/20 0.46
▸ THRA P10827 9/20 0.46
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CRHBP P24387 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ ALOX5 P09917 1/20 0.40

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
SCHEMBL11439014 0.81 THRB (0.50) THRBTHRA
SCHEMBL11439018 0.79 THRB (0.48) THRBTHRAPOLB
SCHEMBL6939130 0.79 MAPT (0.47) LMNAMAPTPOLBGAAKMT2A
SCHEMBL2477305 0.79 KMT2A (0.45) LMNAMAPTPOLBGAAKMT2A
SCHEMBL2483534 0.79 KMT2A (0.45) LMNAMAPTPOLBGAAKMT2A
SCHEMBL2482426 0.79 KMT2A (0.45) LMNAMAPTPOLBGAAKMT2A
SCHEMBL27537994 0.78 THRB (0.47) THRBTHRAALOX5
SCHEMBL283401 0.78 ESR1 (0.49) LMNAMAPTPOLBGAAKMT2A
SCHEMBL2482478 0.77 KMT2A (0.43) THRBLMNAMAPTPOLBGAA
SCHEMBL2507209 0.76 LMNA (0.51) LMNAMAPTPOLBGAAKMT2A

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-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 — — CN disclosed
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