SCHEMBL11657441

SCHEMBL11657441

C#CCNC(=O)Sc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ACACB O00763 3/20 0.37
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MTNR1A P48039 3/20 0.33
▸ MTNR1B P49286 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ SCD O00767 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ LMNA P02545 1/20 0.31

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
SCHEMBL11661168 0.84 MTNR1B (0.37) MTNR1AMTNR1B
SCHEMBL11657741 0.84 RAB9A (0.54) SMN1; SMN2RAB9AMAPTHPGDMTNR1A
SCHEMBL11660879 0.81 NPC1 (0.43) SMN1; SMN2RAB9AACACBMAPTHPGD
SCHEMBL11661228 0.81 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AMAPTHPGDALDH1A1
SCHEMBL11663684 0.80 ACACB (0.36) RAB9AACACBMAPTHPGDALDH1A1
SCHEMBL11658257 0.79 NPC1 (0.50) SMN1; SMN2RAB9AMAPTHPGDALDH1A1
SCHEMBL11663688 0.77 MAPT (0.45) RAB9AMAPTHPGDALDH1A1NPC1
SCHEMBL11661014 0.77 PYCR1 (0.42) SMN1; SMN2RAB9AMAPTHPGDALDH1A1
SCHEMBL11658712 0.76 ACHE (0.41) SMN1; SMN2RAB9AMAPTHPGDALDH1A1
SCHEMBL11665519 0.72 ALDH1A1 (0.51) ACACBMAPTHPGDALDH1A1ABL1

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
US-4075006-A PESTICIDES, NEMATOCIDES, FUNGICIDES PPG INDUSTRIES, INC. (US) 1978-02-21 — — US disclosed
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