SCHEMBL8303433

SCHEMBL8303433

CC(C)(C)[Si](C)(C)Oc1cccc(C(=O)O)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 6/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NAPRT Q6XQN6 2/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
TSHR P16473 1/20 0.39
GGT1 P19440 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.39
ALOX15 P16050 1/20 0.38
FABP4 P15090 2/20 0.38
ALB P02768 1/20 0.38

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
SCHEMBL7598320 0.84 MAPK1 (0.49) MAPK1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL30872150 0.84 KDM4E (0.51) KDM4EHSD17B10HPGDALDH1A1NAPRT
SCHEMBL7557301 0.84 KDM4E (0.51) KDM4EHSD17B10HPGDALDH1A1NAPRT
SCHEMBL9070650 0.83 PTGER1 (0.42) MAPK1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL9688332 0.83 KDM4E (0.46) MAPK1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL31019409 0.83 PTGER1 (0.42) MAPK1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL6461382 0.81 MAPK1 (0.45) MAPK1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL14312138 0.79 MAPK1 (0.38) MAPK1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL2500959 0.79 DRD2 (0.34) KAT6A
SCHEMBL8307043 0.78 TP53 (0.37) MAPK1KDM4EHSD17B10HPGDALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832078-B1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1999-10-20 EP disclosed
US-5814648-A N-hydroxyureas as antiinflammatory agents PFIZER INC. (US) 1998-09-29 US disclosed
EP-0832078-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996040659-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1996-12-19 WO disclosed