SCHEMBL14703043

SCHEMBL14703043

Bc1ccc(OC)cc1C(C)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.49
▸ ADRA1A P35348 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ADRB2 P07550 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ ADRB3 P13945 1/20 0.44
▸ SCN1A P35498 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ HTT P42858 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ PTGS2 P35354 3/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ AKR1C3 P42330 2/20 0.38

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
SCHEMBL13265121 0.83 ALDH1A1 (0.44) MEN1MAPK1KMT2A
SCHEMBL19667851 0.82 ADRA2A (0.53) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL13263785 0.81 MEN1 (0.47) MEN1KMT2AHTTAKR1C3AKR1C2
SCHEMBL14570523 0.78 GAA (0.50) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL9027230 0.78 ADRA1A (0.69) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL14691495 0.77 ADRA2A (0.49) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL6796164 0.77 ADRA2A (0.49) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL31119047 0.77 ADRA2A (0.49) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL12248178 0.74 ADRA2A (0.46) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL11709428 0.74 ADRA2A (0.54) ADRA2AADRA1ACYP2D6MEN1MAPK1

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-2013022740-A2 GPR35 LIGANDS AND THE USES THEREOF CORNING INCORPORATED (US) 2013-02-14 — — WO disclosed
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