SCHEMBL4036680

SCHEMBL4036680

CCCC(C(=O)O)c1ccc(-c2ccc(OC)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CTSA P10619 1/20 0.43
ACACB O00763 9/20 0.42
ACACA Q13085 6/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
GRM2 Q14416 1/20 0.42
OXTR P30559 1/20 0.41
CYP2A6 P11509 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
HSD11B1 P28845 2/20 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
SCHEMBL16751961 0.89 KMT2A (0.43) MKNK1MKNK2LMNAOXTR
SCHEMBL4039535 0.89 MKNK1 (0.42) MKNK1MKNK2CTSANPC1LMNA
SCHEMBL4040783 0.85 MAP4K4 (0.44) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL4037632 0.82 IDO1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4039532 0.75 POLB (0.48)
SCHEMBL11117318 0.75 AKR1C3 (0.56) LMNA
SCHEMBL7800828 0.74 SMN1; SMN2 (0.43) ACACBACACANPC1PSEN1PSEN2
SCHEMBL16751891 0.74 AKR1C3 (0.43) CTSAACACBPSEN1PSEN2APH1B
SCHEMBL9268728 0.74 RARB (0.50) ACACBACACANPC1PSEN1PSEN2
SCHEMBL7014236 0.73 NNMT (0.47) MKNK1MKNK2ACACBNPC1LMNA

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
EP-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP claimed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO claimed