SCHEMBL8015805

SCHEMBL8015805

O=C(O)CC(F)(F)C(=O)c1ccc2oc3ccc(O)cc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.42
EYA3 Q99504 2/20 0.42
HTT P42858 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
MAOA P21397 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TTR P02766 2/20 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
SCHEMBL8009670 0.86 TTR (0.49) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL8010016 0.82 MAPT (0.36) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL8000595 0.77 LMNA (0.48) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL8000361 0.73 BCAT1 (0.44) ALDH1A1HPGDLMNATTRRAB9A
SCHEMBL8009573 0.72 LMNA (0.45) MEN1KMT2ALMNATTRRAB9A
SCHEMBL8009574 0.72 LMNA (0.45) MEN1KMT2ALMNATTRRAB9A
SCHEMBL14540848 0.71 NPC1 (0.59) SLC22A12EYA3HTTALDH1A1MEN1
SCHEMBL5308204 0.70 MAPT (0.64) HTTALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL21313809 0.69 TTR (0.71) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL8006393 0.69 BCAT1 (0.50) ALDH1A1MEN1HPGDKMT2ASMN1; 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
US-6037361-A GELATINASE, STROMELYSIN, COLLAGENASE, AND MATRILYSIN INHIBITORS; MULTIPLE SCLEROSIS TREATMENT; BRAIN AND NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-03-14 US claimed
US-6037361-A GELATINASE, STROMELYSIN, COLLAGENASE, AND MATRILYSIN INHIBITORS; MULTIPLE SCLEROSIS TREATMENT; BRAIN AND NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-03-14 US disclosed