SCHEMBL10489754

SCHEMBL10489754

CCCc1ccc(NC(=O)OCCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.55
MGLL Q99685 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
LTC4S Q16873 1/20 0.46
PLK1 P53350 5/20 0.46
PLK3 Q9H4B4 2/20 0.46
MCL1 Q07820 2/20 0.46
BCL2A1 Q16548 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
RECQL P46063 1/20 0.45
CTSK P43235 1/20 0.45
TRPM2 O94759 1/20 0.43
SORT1 Q99523 1/20 0.43

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
SCHEMBL10489647 0.93 METAP2 (0.57) METAP2MGLLKDM4EPKMSMN1; SMN2
SCHEMBL10489785 0.91 METAP2 (0.52) METAP2MGLLKDM4EPKMSMN1; SMN2
SCHEMBL10489854 0.90 METAP2 (0.53) METAP2KDM4EPKMSMN1; SMN2CYP1A2
SCHEMBL10490025 0.88 CYP1A2 (0.54) METAP2KDM4EPKMSMN1; SMN2CYP1A2
SCHEMBL10489898 0.86 METAP2 (0.54) METAP2KDM4EPKMSMN1; SMN2CYP1A2
SCHEMBL10489769 0.82 METAP2 (0.57) METAP2KDM4EPKMLTC4SPLK1
SCHEMBL10489833 0.82 METAP2 (0.55) METAP2KDM4EPKMSMN1; SMN2CYP1A2
SCHEMBL10489746 0.82 METAP2 (0.55) METAP2KDM4EPKMSMN1; SMN2CYP1A2
SCHEMBL10875637 0.82 MGLL (0.55) MGLLKDM4ESMN1; SMN2CYP1A2CYP2C19
SCHEMBL10490026 0.81 KDM4E (0.53) METAP2KDM4EPKMSMN1; SMN2CYP1A2

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
US-4873232-A ARTHRITIS AND AUTOIMMUNE DISEASES SYNTEX (US) 1989-10-10 US disclosed