SCHEMBL7423445

SCHEMBL7423445

COc1ccc(C(=O)O)c(C(=O)C2CCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.50
CPS1 P31327 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL4839335 0.94 KDM2B (0.50) KDM2BCPS1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4841620 0.88 CPS1 (0.52) KDM2BCPS1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14477305 0.82 KDM2B (0.50) KDM2BCPS1ALDH1A1MEN1KMT2A
SCHEMBL1340897 0.82 NOS2 (0.48) KDM2BCPS1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4113759 0.82 MAPT (0.61) KDM2BCPS1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4115692 0.82 KDM2B (0.47) KDM2BCPS1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4131191 0.81 ALDH1A1 (0.53) KDM2BCPS1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL30514010 0.81 CPS1 (0.70) KDM2BCPS1MEN1KMT2A
SCHEMBL16163091 0.81 POLB (0.61) KDM2BCPS1ALDH1A1MEN1KMT2A
SCHEMBL5280460 0.81 KDM2B (0.49) KDM2BCPS1SMN1; SMN2ALDH1A1MEN1

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
WO-1995004046-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO disclosed