SCHEMBL4628818

SCHEMBL4628818

C[C@H](Nc1ccon1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
EPHX2 P34913 2/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL4628820 1.00 FFAR2 (0.44) FFAR2RAB9APOLBALDH1A1L3MBTL1
SCHEMBL6666845 0.76 ATM (0.40) FFAR2RAB9APOLBALDH1A1L3MBTL1
SCHEMBL19489069 0.70 POLB (0.38) FFAR2RAB9APOLBALDH1A1L3MBTL1
SCHEMBL18638766 0.70 FFAR2 (0.57) FFAR2RAB9APOLBALDH1A1L3MBTL1
SCHEMBL13101011 0.70 CTSK (0.51) FFAR2RAB9APOLBALDH1A1L3MBTL1
SCHEMBL18642522 0.69 FDPS (0.58) RAB9AALDH1A1ATMNPC1SMN1; SMN2
SCHEMBL18642520 0.69 FDPS (0.58) RAB9AALDH1A1ATMNPC1SMN1; SMN2
SCHEMBL3596299 0.68 RAB9A (0.51) RAB9APOLBALDH1A1L3MBTL1ATM
SCHEMBL27348676 0.68 RAB9A (0.38) FFAR2RAB9APOLBALDH1A1TSHR
SCHEMBL14555163 0.68 KDM4C (0.46) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592801-A4 TANDEM ANALYSES OF NONCOVALENTLY DRIVEN EFFECTORS FOR MODULATORY MAPPING OF ACTIVITIES OF PROTEIN SITES ADVANCED PROTEOME THERAPEUTICS (US) 2008-04-30 EP disclosed
EP-1592801-A2 TANDEM ANALYSES OF NONCOVALENTLY DRIVEN EFFECTORS FOR MODULATORY MAPPING OF ACTIVITIES OF PROTEIN SITES Advanced Proteome Therapeutics Inc. (US) 2005-11-09 EP disclosed
WO-2004066917-A2 TANDEM ANALYSES OF NONCOVALENTLY DRIVEN EFFECTORS FOR MODULATORY MAPPING OF ACTIVITIES OF PROTEIN SITES ADVANCED PROTEOME THERAPEUTICS, INC (US) 2004-08-12 WO disclosed