SCHEMBL11190089

SCHEMBL11190089

N#Cc1cc(Cl)ccc1Oc1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
CYP19A1 P11511 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
STK39 Q9UEW8 1/20 0.41
EYA2 O00167 1/20 0.41
MAPT P10636 1/20 0.41
NOS2 P35228 1/20 0.40
CYP3A4 P08684 1/20 0.40
PPARG P37231 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
SCHEMBL11372623 0.83 AR (0.47) ARMRGPRX4SMN1; SMN2ALDH1A1SLC22A12
SCHEMBL1197429 0.83 CYP1A2 (0.57) ARMRGPRX4SMN1; SMN2ALDH1A1MAPT
SCHEMBL11096810 0.82 AR (0.49) ARSMN1; SMN2ALDH1A1SLC22A12CYP19A1
SCHEMBL11182601 0.82 AR (0.46) ARMRGPRX4ALDH1A1SLC22A12TSHR
SCHEMBL7486810 0.81 POLB (0.54) ARSMN1; SMN2ALDH1A1CYP19A1CYP3A4
SCHEMBL11176242 0.80 MRGPRX4 (0.47) ARMRGPRX4SMN1; SMN2ALDH1A1SLC22A12
SCHEMBL30487032 0.80 CYP19A1 (0.58) ARSMN1; SMN2ALDH1A1CYP19A1CYP3A4
SCHEMBL9826918 0.80 MRGPRX4 (0.63) MRGPRX4TSHRLMNAL3MBTL1STK39
SCHEMBL17818514 0.80 CYP19A1 (0.58) ARSMN1; SMN2ALDH1A1CYP19A1CYP3A4
SCHEMBL11094525 0.79 SCN9A (0.51) ARL3MBTL1MAPT

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-4394327-A THIOESTERS CIBA-GEIGY CORPORATION (US) 1983-07-19 US disclosed