SCHEMBL7995385

SCHEMBL7995385

COC(=O)c1nc(CCc2ccccc2)[nH]c1-c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.51
RNASEH1 O60930 2/20 0.51
NTRK1 P04629 1/20 0.45
MAPK14 Q16539 2/20 0.42
MAPK13 O15264 1/20 0.42
GCGR P47871 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
BRS3 P32247 2/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL7992155 0.88 RNASEH1 (0.56) RNASEH1NTRK1MAPK14MAPK13GCGR
SCHEMBL7995274 0.81 ALDH1A1 (0.42) RNASEH1GCGRALDH1A1HPGDHSD17B10
SCHEMBL7977922 0.81 ALDH1A1 (0.42) RNASEH1GCGRALDH1A1HPGDHSD17B10
SCHEMBL7991774 0.79 RAB9A (0.52) KDM4ESMN1; SMN2POLBKMT2ATSHR
SCHEMBL28576641 0.79 ERCC1 (0.60) MAPK14ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL7995185 0.76 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10KDM4EPKM
SCHEMBL8322757 0.72 RNASEH1 (0.52) RNASEH1ALDH1A1KDM4ENPSR1SMN1; SMN2
SCHEMBL7989981 0.72 ALDH1A1 (0.47) MAPK14ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL28916010 0.71 ERCC1 (0.64) ALDH1A1HPGDKDM4EPKMSMN1; SMN2
SCHEMBL28582957 0.71 ERCC1 (0.68) ALDH1A1HPGDHSD17B10KDM4EPKM

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed