SCHEMBL11168235

SCHEMBL11168235

Cc1cc(C(C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c(O)cc1N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ PTGES O14684 3/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALOX5 P09917 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
SCHEMBL10950761 0.84 HSP90AA1 (0.42) TSHRHSP90AA1PTGESMAPK1LMNA
SCHEMBL11166612 0.81 HSP90AA1 (0.40) TSHRHSP90AA1KDM4EPTGESMAPK1
SCHEMBL10947750 0.72 HSP90AA1 (0.44) HSP90AA1LMNAHPGDMEN1KMT2A
SCHEMBL19001159 0.70 LMNA (0.53) TSHRKDM4EPTGESLMNAHPGD
SCHEMBL14085921 0.70 LMNA (0.53) TSHRKDM4EPTGESLMNAHPGD
SCHEMBL18216887 0.70 LMNA (0.56) TSHRPTGESLMNAHPGDMEN1
Benzamide SCHEMBL10949386 0.68 PTGS1 (0.43) TSHRHSP90AA1TDP1MEN1KMT2A
SCHEMBL18347680 0.68 HPGD (0.43) TSHRHSP90AA1KDM4EHPGDMEN1
SCHEMBL11062225 0.67 ERCC1 (0.46) TSHRHSP90AA1KDM4EMEN1KMT2A
SCHEMBL20454623 0.66 PTGES (0.50) TSHRPTGESMAPK1LMNAHPGD

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
EP-0082109-A2 Substituted 2-hydroxyphenylacetic acids and derivatives of them CIBA-GEIGY AG (CH) 1983-06-22 — — EP disclosed
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