SCHEMBL5058312

SCHEMBL5058312

Nc1ccc(OC(=O)c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 3/20 0.56
▸ ESR1 P03372 2/20 0.56
▸ SLC6A3 Q01959 2/20 0.51
▸ KMT2A Q03164 7/20 0.49
▸ MAPT P10636 6/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ THRB P10828 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL27375218 0.86 SLC6A3 (0.68) ESR2ESR1SLC6A3KMT2AMAPT
SCHEMBL27639137 0.83 KMT2A (0.51) ESR2ESR1SLC6A3KMT2AMAPT
SCHEMBL10754970 0.83 LMNA (0.53) SLC6A3KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL30343057 0.82 KDM4E (0.58) ESR2ESR1SLC6A3KMT2AMAPT
SCHEMBL8699559 0.81 KDM4E (0.73) ESR1SLC6A3KMT2AMAPTSMN1; SMN2
SCHEMBL11559171 0.81 KMT2A (0.57) ESR2ESR1SLC6A3KMT2AMAPT
SCHEMBL2691568 0.81 MAPT (0.51) ESR2ESR1SLC6A3KMT2AMAPT
SCHEMBL4343990 0.81 KMT2A (0.49) ESR2ESR1SLC6A3KMT2AMAPT
SCHEMBL7329213 0.80 ESR1 (0.52) ESR2ESR1SLC6A3KMT2AMAPT
SCHEMBL28320252 0.80 MAPT (0.51) ESR2ESR1SLC6A3KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883619-A1 PROCESS OF PREPARATION OF SUBSTITUTED TETRAFLUOROBENZYLANILINE COMPOUND AND ITS PHARMACEUTICALLY APPROVED SALTS Choongwae Pharma Corporation (KR) 2008-02-06 — — EP disclosed
WO-2006126846-A1 PROCESS OF PREPARATION OF SUBSTITUTED TETRAFLUOROBENZYLANILINE COMPOUND AND ITS PHARMACEUTICALLY APPROVED SALTS CHOONGWAE PHARMA CORPORATION (KR) 2006-11-30 — — WO disclosed
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