SCHEMBL27736604

SCHEMBL27736604

CC(Cc1ccccc1OC[C@H](C)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.49
PTGER4 P35408 2/20 0.49
PTGER3 P43115 2/20 0.49
PTGER2 P43116 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
APAF1 O14727 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
ADRB2 P07550 7/20 0.42
ADRB1 P08588 7/20 0.42
ELANE P08246 1/20 0.41
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL23653775 0.84 L3MBTL1 (0.51) PTGER1PTGER4PTGER3PTGER2KDM4E
SCHEMBL1419560 0.81 KMT2A (0.53) PTGER1PTGER4PTGER3PTGER2KDM4E
SCHEMBL12310073 0.80 LMNA (0.53) LMNAL3MBTL1MAPTADRB2ADRB1
SCHEMBL745791 0.78 CYP1A2 (0.49) LMNAKDM4EADRB2ADRB1CYP1A2
SCHEMBL13392151 0.78 LMNA (0.47) LMNAKDM4EADRB2ADRB1CYP1A2
SCHEMBL13410928 0.78 CYP1A2 (0.49) LMNAKDM4EADRB2ADRB1CYP1A2
SCHEMBL12634639 0.78 ELANE (0.52) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8520662 0.78 APAF1 (0.59) PTGER1PTGER4PTGER3PTGER2KDM4E
SCHEMBL750165 0.77 ALOX15 (0.48) LMNAKDM4EADRB2ADRB1CYP1A2
SCHEMBL10380337 0.76 HRH1 (0.54) LMNAL3MBTL1ADRB2ADRB1CYP1A2

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
CN-101351448-A Novel 1-benzyl-4-piperidinamines for the treatment of COPD and asthma ASTRAZENECA AB (SE) 2009-01-21 CN disclosed