SCHEMBL7652591

SCHEMBL7652591

CC(=O)c1ccccc1NC(=O)CCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 4/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 4/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 2/20 0.52
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52

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
SCHEMBL14397889 0.90 CYP2C19 (0.57) MAPK1CYP2C19KDM4ENPC1RAB9A
SCHEMBL6800486 0.86 ALDH1A1 (0.57) KDM4ENPC1RAB9ASMN1; SMN2TDP1
SCHEMBL24420606 0.86 CETP (0.63) MAPK1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL21665202 0.85 HTT (0.60) KDM4ETDP1KMT2AGAAMEN1
SCHEMBL14397898 0.83 KMT2A (0.58) CYP2C19KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL27548637 0.83 CETP (0.65) MAPK1KMT2AHDAC3HDAC1HDAC4
SCHEMBL24074514 0.83 CETP (0.65) MAPK1KMT2AHDAC3HDAC1HDAC4
SCHEMBL14857060 0.82 KDM4E (0.59) KDM4ENPC1RAB9ASMN1; SMN2TDP1
SCHEMBL13033135 0.81 TSHR (0.51) KDM4ENPC1RAB9ASMN1; SMN2TDP1
SCHEMBL2560604 0.81 CA1 (0.57) CYP2C19KDM4ENPC1RAB9ASMN1; SMN2

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
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed