SCHEMBL9606562

SCHEMBL9606562

CC(C)Cc1c(C(=O)O)c(C(=O)O)c(OC(C)C)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
DHODH Q02127 1/20 0.37
PTGER4 P35408 1/20 0.37
FBP1 P09467 1/20 0.36
EDNRA P25101 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL2297450 0.86 KMT2A (0.44) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL1974562 0.86 DHODH (0.44) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL12002016 0.82 ALDH1A1 (0.43) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL3564311 0.79 PTGER4 (0.40) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL3557535 0.77 ALOX5 (0.45) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL3571297 0.77 KMT2A (0.39) KMT2AKDM4EALDH1A1LMNAPTGER4
SCHEMBL1590125 0.77 EDNRA (0.52) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL6931142 0.76 EDNRA (0.40) DHODHPTGER4EDNRACNR1CNR2
SCHEMBL3570038 0.76 EDNRA (0.40) DHODHPTGER4EDNRACNR1CNR2
SCHEMBL27745290 0.75 DHODH (0.42) KMT2AKDM4EALDH1A1LMNAMEN1

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
EP-2457897-A1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-05-30 EP disclosed