SCHEMBL19600911

SCHEMBL19600911

CCOCC#Cc1ccc(C(NC)C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 8/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MMP2 P08253 1/20 0.31
▸ MMP12 P39900 1/20 0.31
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30

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
SCHEMBL24783334 0.91 HTR2A (0.32) ACACB
SCHEMBL19605700 0.91 ACACB (0.31) ACACB
SCHEMBL19606410 0.79 ACACB (0.31) ACACB
SCHEMBL19606404 0.74 SLC2A1 (0.32) ACACB
SCHEMBL20324201 0.71 ACACB (0.39) ACACB
SCHEMBL18551308 0.70 ACACB (0.40) ACACB
SCHEMBL9209153 0.69 KCNH2 (0.41) ACACBKCNH2MMP2MMP12
SCHEMBL5243364 0.68 NPSR1 (0.53) KCNH2MMP2MMP12
SCHEMBL10279764 0.67 CTSL (0.41) ACACBKCNH2CTSLCTSBCTSS
SCHEMBL25698227 0.66 CTSL (0.41) CTSLCTSBCTSSCTSK

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
WO-2017197036-A1 SPIROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2017-11-16 — — WO disclosed
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