SCHEMBL8325141

SCHEMBL8325141

Cc1c(C(=O)O)c2n(c1-c1cccnc1)CCCC2O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
BLM P54132 2/20 0.39
ALOX15 P16050 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 4/20 0.37
PKM P14618 1/20 0.37
APEX1 P27695 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACHE P22303 1/20 0.37
POLB P06746 1/20 0.37
SCD O00767 1/20 0.37
GPR35 Q9HC97 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 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
SCHEMBL7961904 0.91 CYP11B2 (0.39) KDM4EBLMALOX15CYP11B2ALDH1A1
SCHEMBL7964715 0.90 CYP11B2 (0.43) KDM4EBLMALOX15CYP11B2ALDH1A1
SCHEMBL8328648 0.88 KDM4E (0.38) KDM4EBLMALOX15CYP11B2ALDH1A1
SCHEMBL7964717 0.88 ALDH1A1 (0.40) KDM4EBLMALOX15CYP11B2ALDH1A1
SCHEMBL8325325 0.87 CYP11B2 (0.39) KDM4EBLMALOX15CYP11B2ALDH1A1
SCHEMBL8327037 0.85 UCHL1 (0.41) KDM4EBLMALOX15CYP11B2ALDH1A1
SCHEMBL7967732 0.81 CYP11B2 (0.39) KDM4EBLMALOX15CYP11B2ALDH1A1
SCHEMBL7952536 0.81 ALDH1A1 (0.40) KDM4EBLMALOX15CYP11B2ALDH1A1
SCHEMBL7963297 0.81 MKNK1 (0.42) KDM4EBLMCYP11B2ALDH1A1HSD17B10
SCHEMBL7967494 0.81 CYP11B2 (0.41) KDM4ECYP11B2ALDH1A1HSD17B10CHRNA7

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