SCHEMBL6457971

SCHEMBL6457971

CCCCCCC[C@H]1CC[C@@H]2CC(c3c(F)cc(C(=O)Oc4ccc(C#N)c(F)c4)cc3F)CC[C@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
ACHE P22303 2/20 0.31
KDM1A O60341 2/20 0.31
PRSS1 P07477 1/20 0.31
ACR P10323 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CRBN Q96SW2 1/20 0.30
EGLN2 Q96KS0 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
SCHEMBL6457977 1.00 ALDH1A1 (0.33) ALDH1A1HPGDTRPV4ACHEKDM1A
SCHEMBL6454063 1.00 ALDH1A1 (0.33) ALDH1A1HPGDTRPV4ACHEKDM1A
SCHEMBL6454065 1.00 ALDH1A1 (0.33) ALDH1A1HPGDTRPV4ACHEKDM1A
SCHEMBL6455197 0.99 TRPV4 (0.33) ALDH1A1HPGDTRPV4KDM1ACRBN
SCHEMBL6455195 0.99 TRPV4 (0.33) ALDH1A1HPGDTRPV4KDM1ACRBN
SCHEMBL6462477 0.97 TRPV4 (0.33) ALDH1A1HPGDTRPV4KDM1APRSS1
SCHEMBL6462478 0.97 TRPV4 (0.33) ALDH1A1HPGDTRPV4KDM1APRSS1
SCHEMBL6460945 0.93 TRPV4 (0.34) ALDH1A1TRPV4KDM1ALMNAEGLN2
SCHEMBL6460947 0.93 TRPV4 (0.34) ALDH1A1TRPV4KDM1ALMNAEGLN2
SCHEMBL6452325 0.90 ACHE (0.35) ALDH1A1HPGDTRPV4ACHEPRSS1

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
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed