SCHEMBL8423474

SCHEMBL8423474

O=C1CCCCCCCCCCC(O)CCCO1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA9 Q16790 1/20 0.58
TSHR P16473 3/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
FKBP4 Q02790 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ESR2 Q92731 2/20 0.35
NR1I2 O75469 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA2 P00918 1/20 0.30
CA4 P22748 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
Cyclohexanol SCHEMBL28938217 0.96 CA1 (0.64) CA1CA9TSHRLMNAALDH1A1
Cyclohexanol SCHEMBL28203866 0.96 CA1 (0.64) CA1CA9TSHRLMNAALDH1A1
SCHEMBL28580171 0.92 CA1 (0.58) CA1CA9TSHRLMNAALDH1A1
SCHEMBL29048442 0.90 CA1 (0.60) CA1CA9TSHRLMNAALDH1A1
SCHEMBL23530429 0.88 CA1 (0.58) CA1CA9TSHRLMNAALDH1A1
SCHEMBL29760749 0.88 CA1 (0.58) CA1CA9TSHRLMNAALDH1A1
SCHEMBL29760728 0.88 CA1 (0.58) CA1CA9TSHRLMNAALDH1A1
SCHEMBL23530394 0.88 CA1 (0.58) CA1CA9TSHRLMNAALDH1A1
SCHEMBL29047147 0.83 CA1 (0.62) CA1CA9TSHRLMNAALDH1A1
SCHEMBL23530423 0.80 CA1 (0.52) CA1CA9TSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6008185-A EXCELLENT OLFACTORY PROPERTIES; PERFUMES HAVING A MUSKY SCENT HAARMANN & REIMER GMBH (DE) 1999-12-28 US disclosed
EP-0862911-A2 Use of macrocyclic lactones as fragrances HAARMANN & REIMER GMBH (DE) 1998-09-09 EP disclosed
EP-0512348-B1 Cyclic lactone derivatives, process for their preparation and process for the preparation of 15-pentadecanolide and their homologs HAARMANN & REIMER GMBH (DE) 1995-12-27 EP disclosed
US-5319104-A Derivatives of cyclic lactones, a process for their preparation and a process for the preparation of 15-pentadecanolide and its homologues HAARMANN & REIMER GMBH (DE) 1994-06-07 US disclosed
EP-0512348-A1 Cyclic lactone derivatives, process for their preparation and process for the preparation of 15-pentadecanolide and their homologs HAARMANN & REIMER GMBH (DE) 1992-11-11 EP disclosed