SCHEMBL11528574

SCHEMBL11528574

CC(C)(C)C(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
PARP10 Q53GL7 2/20 0.44
KMT2A Q03164 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP14 Q460N5 1/20 0.44
PARP16 Q8N5Y8 1/20 0.44
PARP11 Q9NR21 1/20 0.44
PARP4 Q9UKK3 1/20 0.44
CES2 O00748 1/20 0.43

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
SCHEMBL24813408 0.90 HPGD (0.58) ELANEHPGDMAPTRAB9AMMP13
SCHEMBL2625487 0.88 CES2 (0.54) MAPTRAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL11529955 0.83 PARP10 (0.61) ELANEHPGDMAPTRAB9AALDH1A1
SCHEMBL17263293 0.83 ELANE (0.50) ELANEHPGDMAPTRAB9AMMP13
SCHEMBL24799711 0.83 PARP10 (0.58) ELANEHPGDMAPTRAB9ASMN1; SMN2
SCHEMBL8357803 0.83 PARP10 (0.58) ELANEHPGDMAPTRAB9ASMN1; SMN2
SCHEMBL11528364 0.83 MMP13 (0.58) ELANEHPGDMAPTRAB9AMMP2
SCHEMBL14044621 0.81 MAPT (0.53) ELANEHPGDMAPTRAB9ASMN1; SMN2
SCHEMBL22548773 0.81 ELANE (0.48) ELANEHPGDMAPTRAB9AMMP13
SCHEMBL14044620 0.81 MAPT (0.53) ELANEHPGDMAPTRAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4175138-A α-Alkyl-p-phenoxy benzyl alcohols, compositions and treating lipidemia SANDOZ, INC. (US) 1979-11-20 US disclosed
US-4085149-A HYPOLIPIDEMIC SANDOZ, INC. (US) 1978-04-18 US disclosed
US-4065503-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-12-27 US disclosed
US-3962459-A Lipidemia treatment with p-phenoxy-alkylphenone compositions SANDOZ, INC. (US) 1976-06-08 US disclosed