SCHEMBL8328648

SCHEMBL8328648

COc1c(C(=O)O)c2n(c1-c1cccnc1)CCCC2O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
BLM P54132 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB3 Q05901 1/20 0.36
PKM P14618 1/20 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
SCHEMBL7952536 0.91 ALDH1A1 (0.40) KDM4EBLMALOX15HTTCYP11B2
SCHEMBL7963297 0.91 MKNK1 (0.42) KDM4EBLMHTTCYP11B2ALDH1A1
SCHEMBL8325141 0.88 KDM4E (0.39) KDM4EBLMALOX15CYP11B2ALDH1A1
SCHEMBL8325325 0.84 CYP11B2 (0.39) KDM4EBLMALOX15CYP11B2ALDH1A1
SCHEMBL7964696 0.82 CYP11B2 (0.39) KDM4EHTTCYP11B2ALDH1A1HSD17B10
SCHEMBL8327037 0.82 UCHL1 (0.41) KDM4EBLMALOX15HTTCYP11B2
SCHEMBL7964717 0.81 ALDH1A1 (0.40) KDM4EBLMALOX15HTTCYP11B2
SCHEMBL7962101 0.80 NR4A2 (0.40) KDM4EBLMALOX15CYP11B2ALDH1A1
SCHEMBL7961904 0.80 CYP11B2 (0.39) KDM4EBLMALOX15CYP11B2ALDH1A1
SCHEMBL8328159 0.80 DHODH (0.37) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO claimed
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO disclosed