SCHEMBL9683608

SCHEMBL9683608

Cc1ccc(C(O)CNC(C)CC2OCCc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XBP1 P17861 1/20 0.47
MAPT P10636 5/20 0.40
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BLM P54132 2/20 0.38
TSHR P16473 2/20 0.37
RECQL P46063 2/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 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
SCHEMBL9683619 0.92 ALDH1A1 (0.44) XBP1MAPTALDH1A1KMT2ALMNA
SCHEMBL9684696 0.92 ALDH1A1 (0.44) XBP1MAPTALDH1A1KMT2ALMNA
SCHEMBL9683704 0.92 ALDH1A1 (0.44) XBP1MAPTALDH1A1KMT2ALMNA
SCHEMBL9684731 0.91 ADRB2 (0.44) XBP1MAPTALDH1A1KMT2ALMNA
SCHEMBL9684785 0.91 ADRB2 (0.44) XBP1MAPTALDH1A1KMT2ALMNA
SCHEMBL9683750 0.90 HTR1A (0.43) XBP1MAPTALDH1A1KMT2ALMNA
SCHEMBL9683778 0.90 KDM4E (0.45) XBP1MAPTALDH1A1KMT2ALMNA
SCHEMBL9682923 0.89 ALDH1A1 (0.53) MAPTALDH1A1KMT2ALMNACYP1A2
SCHEMBL9684797 0.88 MAPT (0.40) XBP1MAPTALDH1A1KMT2ALMNA
SCHEMBL9684978 0.86 CYP2D6 (0.52) XBP1MAPTALDH1A1KMT2ALMNA

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
US-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 EP disclosed