SCHEMBL23199683

SCHEMBL23199683

O=C1CCC/C1=C/C1CC=CCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSP90AA1 P07900 1/20 0.38
HTT P42858 2/20 0.36
GAA P10253 2/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
EGFR P00533 2/20 0.34
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL23199685 1.00 ALDH1A1 (0.41) ALDH1A1ALOX15MAPTSMN1; SMN2HSP90AA1
SCHEMBL23199681 1.00 ALDH1A1 (0.41) ALDH1A1ALOX15MAPTSMN1; SMN2HSP90AA1
SCHEMBL812891 0.75 EGFR (0.43) ALDH1A1MAPTSMN1; SMN2HTTAKR1C3
SCHEMBL809563 0.75 EGFR (0.43) ALDH1A1MAPTSMN1; SMN2HTTAKR1C3
SCHEMBL813750 0.74 EGFR (0.45) ALDH1A1MAPTSMN1; SMN2HTTAKR1C3
SCHEMBL809489 0.74 EGFR (0.45) ALDH1A1MAPTSMN1; SMN2HTTAKR1C3
SCHEMBL28184645 0.71 EGFR (0.40) ALDH1A1ALOX15MAPTSMN1; SMN2HTT
SCHEMBL28184643 0.71 EGFR (0.40) ALDH1A1ALOX15MAPTSMN1; SMN2HTT
SCHEMBL14609185 0.71 MAPT (0.38) ALDH1A1ALOX15MAPTSMN1; SMN2HTT
SCHEMBL17077372 0.70 EGFR (0.42) ALDH1A1ALOX15MAPTSMN1; SMN2HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12114681-B2 Fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-10-15 US disclosed
US-20210227864-A1 FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-29 US disclosed
EP-3802475-A1 FRAGRANCE AND FLAVOR MATERIALS Takasago International Corporation (JP) 2021-04-14 EP disclosed