SCHEMBL4087799

SCHEMBL4087799

O=C(O)c1ccccc1C(=O)O[C@H](CCCl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
UTS2R Q9UKP6 9/20 0.45
KDM4E B2RXH2 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL4078629 1.00 ALDH1A1 (0.48) ALDH1A1UTS2RKDM4ETAAR1ALOX15
SCHEMBL5155646 0.85 ALDH1A1 (0.58) ALDH1A1UTS2RKDM4ETAAR1ALOX15
SCHEMBL8468699 0.83 UTS2R (0.50) ALDH1A1UTS2RLMNAMAPT
SCHEMBL8466170 0.83 UTS2R (0.50) ALDH1A1UTS2RLMNAMAPT
SCHEMBL29389604 0.82 ALDH1A1 (0.63) ALDH1A1UTS2RKDM4ETAAR1LMNA
SCHEMBL82574 0.82 ALDH1A1 (0.63) ALDH1A1UTS2RKDM4ETAAR1LMNA
SCHEMBL3752645 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ETAAR1ALOX15LMNA
SCHEMBL226267 0.81 ALDH1A1 (0.54) ALDH1A1UTS2RKDM4ETAAR1ALOX15
SCHEMBL4087510 0.81 ALDH1A1 (0.42) ALDH1A1UTS2RKDM4ETAAR1ALOX15
SCHEMBL4091564 0.81 ALDH1A1 (0.42) ALDH1A1UTS2RKDM4ETAAR1ALOX15

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-2060559-A1 Process for the preparation of enantiomerically pure 3-hydroxy-3-arylpropylamines and their optical stereoisomers Cadila Pharmaceuticals Limited (IN) 2009-05-20 EP disclosed
EP-2060559-A1 Process for the preparation of enantiomerically pure 3-hydroxy-3-arylpropylamines and their optical stereoisomers Cadila Pharmaceuticals Limited (IN) 2009-05-20 EP disclosed