SCHEMBL6827641

SCHEMBL6827641

CC(C)(Cc1ccc(C=O)cc1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
RAB9A P51151 2/20 0.40
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP2A6 P11509 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CTSK P43235 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CYP2D6 P10635 1/20 0.36
BCHE P06276 1/20 0.36
NPC1 O15118 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1835373 0.80 ESR1 (0.52) PTPN1ALDH1A1SLC6A2TAAR1LMNA
SCHEMBL3679464 0.79 TSHR (0.48) PTPN1ALDH1A1SLC6A2TAAR1LMNA
SCHEMBL3681250 0.79 IDO1 (0.41) MAOBRAB9APTPN1SMN1; SMN2SLC6A2
Phenol SCHEMBL28851094 0.78 LMNA (0.44) PTPN1ALDH1A1SLC6A2TAAR1LMNA
SCHEMBL7369619 0.76 TSHR (0.62) MAOAMAOBRAB9AALDH1A1CYP2A6
SCHEMBL22775989 0.75 TSHR (0.40) MAOAMAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL28517106 0.74 RAB9A (0.46) MAOAMAOBRAB9AALDH1A1CYP2A6
SCHEMBL27532312 0.73 PTPN1 (0.43) PTPN1ALDH1A1SLC6A2TAAR1LMNA
SCHEMBL97036 0.72 TAAR1 (0.41) ALDH1A1SMN1; SMN2SLC6A2TAAR1PPARG
SCHEMBL97087 0.72 SLC6A2 (0.48) ALDH1A1SMN1; SMN2SLC6A2TAAR1PPARG

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-2004043922-A1 METHOD OF PREPARATION OF TERFENADINE AND ITS DERIVATIVES ZENTIVA, A.S. (SK) 2004-05-27 WO disclosed