SCHEMBL6362124

SCHEMBL6362124

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.63
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
HCRTR1 O43613 1/20 0.60
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
POLB P06746 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
NFKB1 P19838 1/20 0.59
APEX1 P27695 1/20 0.59
CYP2C19 P33261 1/20 0.59
THPO P40225 1/20 0.59
BLM P54132 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL29138492 1.00 TACR1 (0.63) TACR1KMT2AMEN1HCRTR1MAPT
SCHEMBL6355051 1.00 TACR1 (0.63) TACR1KMT2AMEN1HCRTR1MAPT
SCHEMBL16626132 1.00 TACR1 (0.63) TACR1KMT2AMEN1HCRTR1MAPT
SCHEMBL31070801 0.93 IL1RN (0.67) TACR1KMT2AMEN1HCRTR1MAPT
SCHEMBL24239841 0.91 KMT2A (0.61) KMT2AMEN1HCRTR1MAPTTP53
SCHEMBL24239839 0.91 KMT2A (0.61) KMT2AMEN1HCRTR1MAPTTP53
SCHEMBL15692343 0.90 ACE (0.69) TACR1KMT2APLAUPLAUR
SCHEMBL15692342 0.90 ACE (0.69) TACR1KMT2APLAUPLAUR
SCHEMBL30297537 0.90 ACE (0.69) TACR1KMT2APLAUPLAUR
SCHEMBL30557894 0.90 ACE (0.69) TACR1KMT2APLAUPLAUR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050027102-A1 Use of molecularly imprinted polymers for stereo- and/or regioselective synthesis MOSBACH KLAUS (SE) 2005-02-03 US disclosed
EP-0675898-B1 USE OF MOLECULARLY IMPRINTED POLYMERS FOR STEREO- AND/OR REGIOSELECTIVE SYNTHESIS MOSBACH KLAUS H (SE) 2001-11-21 EP disclosed
EP-0675898-A1 USE OF MOLECULARLY IMPRINTED POLYMERS FOR STEREO- AND/OR REGIOSELECTIVE SYNTHESIS MOSBACH, Klaus H. (SE) 1995-10-11 EP disclosed
WO-1994014835-A1 USE OF MOLECULARLY IMPRINTED POLYMERS FOR STEREO- AND/OR REGIOSELECTIVE SYNTHESIS MOSBACH KLAUS (SE) 1994-07-07 WO disclosed