SCHEMBL24935582

SCHEMBL24935582

CC(C)C(=O)COCCCCOc1ccc(C(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.38
OXTR P30559 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 2/20 0.34
NR1I2 O75469 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
AGTR1 P30556 1/20 0.34
PTGIR P43119 1/20 0.34
PDE4D Q08499 1/20 0.34
PTGDR Q13258 1/20 0.34
ACACA Q13085 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL24935580 0.85 KDM4E (0.40) ACACBRAB9ANR1I2ADORA3DRD1
SCHEMBL24935185 0.80 KMT2A (0.50) NPC1RAB9AMEN1KMT2A
SCHEMBL24935382 0.76 PPARG (0.45) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL23468024 0.76 ACACB (0.39) ACACBOXTRNPC1RAB9ASMN1; SMN2
SCHEMBL25063933 0.75 MRGPRX4 (0.40) NPC1RAB9AFFAR1
SCHEMBL5519075 0.75 ALDH1A1 (0.47) ACACBOXTRNPC1RAB9ASMN1; SMN2
SCHEMBL19598479 0.75 SMN1; SMN2 (0.36) ACACBRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL20216138 0.75 PIK3CD (0.40) ACACBOXTRNPC1RAB9ASMN1; SMN2
SCHEMBL10141615 0.75 ACACB (0.42) ACACBOXTRNPC1RAB9ASMN1; SMN2
SCHEMBL24934759 0.74 FFAR1 (0.40) NPC1RAB9AFFAR1

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
EP-4119546-A1 BIFUNCTIONAL COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Suzhou Kintor Pharmaceuticals, Inc. (CN) 2023-01-18 EP disclosed