SCHEMBL13285262

SCHEMBL13285262

Nc1ccc(N2C(=O)CC[C@H]2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.43
P2RX7 Q99572 2/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CNR2 P34972 6/20 0.39
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 3/20 0.37
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGA4 P13612 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACE P12821 2/20 0.36

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
SCHEMBL13284935 0.85 ESR1 (0.46) PHGDHP2RX7PTGER3PTGER2TDP1
SCHEMBL289664 0.85 P2RX7 (0.51) PHGDHP2RX7PTGER3PTGER2TDP1
SCHEMBL289579 0.85 P2RX7 (0.51) PHGDHP2RX7PTGER3PTGER2TDP1
SCHEMBL630463 0.85 P2RX7 (0.51) PHGDHP2RX7PTGER3PTGER2TDP1
SCHEMBL9108668 0.84 KMT2A (0.51) PHGDHPTGER3PTGER2TDP1CNR2
SCHEMBL9106845 0.84 TDP1 (0.53) PHGDHP2RX7PTGER3PTGER2TDP1
SCHEMBL9106851 0.84 TDP1 (0.53) PHGDHP2RX7PTGER3PTGER2TDP1
SCHEMBL22798990 0.84 PHGDH (0.43) PHGDHP2RX7PTGER3PTGER2TDP1
SCHEMBL10131497 0.84 PHGDH (0.43) PHGDHP2RX7PTGER3PTGER2TDP1
SCHEMBL9108663 0.84 KMT2A (0.51) PHGDHPTGER3PTGER2TDP1CNR2

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
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO disclosed