SCHEMBL5499665

SCHEMBL5499665

CCCCOC(=O)NC(C(=O)O)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.44
RAB9A P51151 6/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 7/20 0.42
NPC1 O15118 5/20 0.42
FAAH O00519 3/20 0.42
PTGS2 P35354 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
ATM Q13315 1/20 0.41
CYP2C9 P11712 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 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
SCHEMBL6250233 0.82 FAAH (0.45) CTSKRAB9AHPGDLMNASMN1; SMN2
SCHEMBL1461981 0.81 ATM (0.60) CTSKRAB9AHPGDLMNASMN1; SMN2
SCHEMBL11491274 0.81 ATM (0.60) CTSKRAB9AHPGDLMNASMN1; SMN2
SCHEMBL6250228 0.80 TGM2 (0.47) CTSKRAB9AHPGDLMNASMN1; SMN2
SCHEMBL27695165 0.77 ITGB3 (0.41) CTSKRAB9AHPGDLMNAFAAH
SCHEMBL27993584 0.77 RAB9A (0.39) CTSKRAB9AHPGDLMNASMN1; SMN2
SCHEMBL5503388 0.76 CTSK (0.48) CTSKRAB9ALMNASMN1; SMN2NPC1
SCHEMBL4597773 0.76 EPHX2 (0.48) CTSKRAB9AHPGDLMNASMN1; SMN2
SCHEMBL5088823 0.76 FOLH1 (0.46) RAB9AHPGDLMNASMN1; SMN2NPC1
SCHEMBL1553456 0.76 FOLH1 (0.51) CTSKRAB9AHPGDLMNASMN1; SMN2

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-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed