SCHEMBL31387347

SCHEMBL31387347

CC1CC2(CCN1C(=O)OC(C)(C)C)OCCc1sc(Br)cc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.34
NR1H2 P55055 6/20 0.33
RXRA P19793 4/20 0.33
NR1H3 Q13133 4/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
SETD7 Q8WTS6 1/20 0.33
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
KDM1A O60341 1/20 0.31
USP30 Q70CQ3 1/20 0.30
UCHL1 P09936 1/20 0.30
AVPR1A P37288 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL26058252 1.00 ACACB (0.34) ACACBNR1H2RXRANR1H3JAK2
SCHEMBL26057783 0.89 ACACB (0.36) ACACBNR1H2RXRANR1H3JAK2
SCHEMBL26057789 0.89 ACACB (0.36) ACACBNR1H2RXRANR1H3JAK2
SCHEMBL26057802 0.89 ACACB (0.36) ACACBNR1H2RXRANR1H3JAK2
SCHEMBL30623236 0.89 ACACB (0.34) ACACBNR1H2RXRANR1H3JAK2
SCHEMBL30623258 0.89 ACACB (0.34) ACACBNR1H2RXRANR1H3JAK2
SCHEMBL31387420 0.88 JAK2 (0.34) ACACBNR1H2RXRANR1H3JAK2
SCHEMBL30623337 0.88 ACACB (0.34) ACACBNR1H2RXRANR1H3JAK2
SCHEMBL31387468 0.88 ACACB (0.34) ACACBNR1H2RXRANR1H3JAK2
SCHEMBL30623318 0.88 JAK2 (0.34) ACACBNR1H2RXRANR1H3JAK2

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
CN-119343353-A 2-Methyl-4 ',5' -dihydrospiro [ piperidine-4, 7' -thieno [2,3-c ] pyran ] derivatives as APOL1 inhibitors and methods of use thereof 弗特克斯药品有限公司 2025-01-21 CN disclosed