SCHEMBL23929358

SCHEMBL23929358

CCOc1ccc(COC(=O)C(=O)C2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACACB O00763 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL14993138 0.86 EPHX2 (0.55) ALDH1A1HPGDNPC1RAB9AMAPT
SCHEMBL2706422 0.80 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7637109 0.80 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7641957 0.80 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL304689 0.78 FKBP1A (0.53) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7639964 0.75 FKBP1A (0.50) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL7638404 0.74 CES2 (0.52) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL7636018 0.74 CES2 (0.52) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL534242 0.74 CES2 (0.52) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL18551974 0.74 KMT2A (0.66) LMNAALDH1A1KDM4EHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4084769-A1 PERFUME SYSTEM FOR PERFUMED CONSUMER PRODUCT Firmenich SA (CH) 2022-11-09 EP disclosed
WO-2021214205-A1 PERFUME SYSTEM FOR PERFUMED CONSUMER PRODUCT FIRMENICH SA (CH) 2021-10-28 WO disclosed