SCHEMBL5821110

SCHEMBL5821110

CC(C)c1[nH]c(-c2ccccc2)c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
PIM1 P11309 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
FABP3 P05413 3/20 0.40
FABP4 P15090 3/20 0.40
FABP5 Q01469 1/20 0.40
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
CHEK1 O14757 2/20 0.39
EGFR P00533 2/20 0.39
KDR P35968 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MDM2 Q00987 1/20 0.37
RPA1 P27694 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL4163228 0.92 PTGS2 (0.40) KDM4EMAPTPIM1GFERTDP1
SCHEMBL28818910 0.88 KDM4E (0.39) KDM4EMAPTPIM1GFERTDP1
SCHEMBL5805083 0.83 EGFR (0.47) MAPTTDP1SMN1; SMN2CHEK1EGFR
SCHEMBL5808870 0.81 PTGS2 (0.39) LMNAPTGS2
SCHEMBL4471440 0.80 ALDH1A1 (0.55) KDM4EMAPTPIM1GFERTDP1
SCHEMBL5821884 0.80 RAB9A (0.45) KDM4EMAPTTDP1SMN1; SMN2LMNA
SCHEMBL5804954 0.79 GCGR (0.49) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL5809257 0.78 TP53 (0.47) SMN1; SMN2KDRLMNAALDH1A1HPGD
SCHEMBL5805311 0.77 HTT (0.45) MAPTSMN1; SMN2CHEK1EGFRKDR
SCHEMBL4169210 0.77 HMGCR (0.47) KDM4EMAPTSMN1; SMN2CHEK1EGFR

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-2006110918-A1 PYRROLE COMPOUNDS AND USES THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2006-10-19 WO disclosed