SCHEMBL18272105

SCHEMBL18272105

CCCCc1cc(C(C)(C)C)c(Br)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 2/20 0.46
▸ MAPT P10636 4/20 0.40
▸ ALOX15 P16050 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL16736829 0.93 TYR (0.46) TYRMAPTALOX15HTTMEN1
SCHEMBL16736747 0.83 HMGCR (0.44) TYRMAPTALOX15HTTTP53
SCHEMBL30320332 0.81 ALOX15 (0.56) TYRMAPTALOX15HTTMEN1
SCHEMBL16736687 0.80 ALOX15 (0.45) TYRMAPTALOX15HTTMEN1
SCHEMBL18272109 0.79 ALOX15 (0.39) TYRMAPTALOX15HTTTP53
SCHEMBL28795591 0.78 TYR (0.47) TYRMAPTALOX15HTTMEN1
SCHEMBL16736834 0.78 TYR (0.47) TYRMAPTALOX15HTTMEN1
SCHEMBL3408192 0.77 ALOX15 (0.56) TYRMAPTALOX15HTTMEN1
SCHEMBL16736839 0.77 TYR (0.50) TYRMAPTALOX15HTTMEN1
SCHEMBL30604741 0.77 ALOX15 (0.56) TYRMAPTALOX15HTTMEN1

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-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 — — WO disclosed
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