SCHEMBL10806879

SCHEMBL10806879

CCCCCCCCCc1ccc(OCCCCBr)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ CASP1 P29466 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ SLCO1B3 Q9NPD5 1/20 0.61
▸ SLCO1B1 Q9Y6L6 1/20 0.61
▸ NR5A1 Q13285 1/20 0.54
▸ TP53 P04637 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ THRA P10827 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ PLA2G4B P0C869 1/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ PLA2G4A P47712 1/20 0.49

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
SCHEMBL8076076 0.97 MEN1 (0.60) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL8076106 0.97 MEN1 (0.60) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL8072244 0.97 MEN1 (0.60) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL8070971 0.97 MEN1 (0.60) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL8076372 0.97 MEN1 (0.60) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL8072876 0.97 MEN1 (0.60) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL11479324 0.95 MEN1 (0.57) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9258093 0.95 MEN1 (0.55) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL5834618 0.95 MEN1 (0.55) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL8078024 0.95 LMNA (0.58) MEN1USP2ALDH1A1LMNACYP3A4

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
US-4649219-A CROSSLINKERS, ADHESIVES, PAINTS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1987-03-10 — — US disclosed
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