SCHEMBL11241475

SCHEMBL11241475

CCn1cc(C)c(C(=O)O)c1CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.37
LMNA P02545 4/20 0.37
POLB P06746 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
GFER P55789 1/20 0.33
MEN1 O00255 1/20 0.33
ABCC4 O15439 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL4645532 0.79 TP53 (0.55) TP53LMNAPOLBKDM4EALDH1A1
SCHEMBL2973653 0.78 LDHA (0.37) TP53LMNAPOLBKDM4EALDH1A1
SCHEMBL11076258 0.77 TP53 (0.53) TP53LMNAPOLBKDM4EALDH1A1
SCHEMBL23498885 0.69 TP53 (0.49) TP53LMNAPOLBKDM4E
SCHEMBL5518087 0.67 ALDH1A1 (0.43) POLBKDM4EALDH1A1MAPTPKM
SCHEMBL7678717 0.66 LMNA (0.57) TP53LMNAPOLBKDM4EMAPT
SCHEMBL9957515 0.66 LPO (0.32)
SCHEMBL6401221 0.64 CDC25A (0.40) KDM4EMEN1PTGS1KMT2A
SCHEMBL11066272 0.64 TP53 (0.51) TP53LMNAPOLBKDM4EALDH1A1
SCHEMBL24348223 0.64 MEN1 (0.34) LMNAKDM4EALDH1A1SLC22A12MEN1

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-4363918-A Method of preparing 1-alkyl-3-carboxy-1H pyrrole-2-acetic acids JANSSEN PHARMACEUTICA N.V. (BE) 1982-12-14 US disclosed