SCHEMBL28008169

SCHEMBL28008169

CN(C)[C@@H](CC(=O)O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.55
CPB1 P15086 1/20 0.55
CPA3 P15088 1/20 0.55
CPB2 Q96IY4 1/20 0.55
OPRM1 P35372 10/20 0.50
OPRK1 P41145 9/20 0.50
OPRD1 P41143 8/20 0.50
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
LTA4H P09960 2/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL11828973 0.90 ALDH1A1 (0.52) CPA1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL21214617 0.82 CPA3 (0.57) CPA3OPRM1OPRK1OPRD1HPGD
SCHEMBL10010705 0.80 LTA4H (0.50) CPA3OPRM1OPRK1OPRD1LTA4H
Acetic Acid SCHEMBL10591922 0.79 CPA3 (0.51) CPA3OPRM1OPRK1OPRD1HPGD
Acetic Acid SCHEMBL10591913 0.79 CPA3 (0.51) CPA3OPRM1OPRK1OPRD1HPGD
SCHEMBL7320183 0.79 TRPA1 (0.53) OPRM1OPRK1OPRD1
SCHEMBL5383411 0.79 TRPA1 (0.53) OPRM1OPRK1OPRD1
SCHEMBL7322626 0.79 TRPA1 (0.53) OPRM1OPRK1OPRD1
Acetic Acid SCHEMBL6276580 0.77 OPRD1 (0.52) OPRM1OPRK1OPRD1ALDH1A1LMNA
SCHEMBL9915838 0.76 OPRK1 (0.52) OPRK1OPRD1CYP1A2

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
CN-104662015-B Complement pathway modulators and uses thereof 诺华股份有限公司 2017-03-29 CN disclosed
CN-104662015-A Complement pathway modulators and uses thereof NOVARTIS AG 2015-05-27 CN disclosed