SCHEMBL6462478

SCHEMBL6462478

CCCCC1CCC2CC(c3c(F)cc(C(=O)Oc4ccc(C#N)c(F)c4)cc3F)CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.33
KDM1A O60341 4/20 0.32
CRBN Q96SW2 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CTSK P43235 1/20 0.30
CTSC P53634 1/20 0.30
PRSS1 P07477 1/20 0.30
ACR P10323 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
SCHEMBL6462477 1.00 TRPV4 (0.33) TRPV4KDM1ACRBNEGLN2ALDH1A1
SCHEMBL6455197 0.97 TRPV4 (0.33) TRPV4KDM1ACRBNEGLN2ALDH1A1
SCHEMBL6455195 0.97 TRPV4 (0.33) TRPV4KDM1ACRBNEGLN2ALDH1A1
SCHEMBL6457977 0.97 ALDH1A1 (0.33) TRPV4KDM1ACRBNEGLN2ALDH1A1
SCHEMBL6454063 0.97 ALDH1A1 (0.33) TRPV4KDM1ACRBNEGLN2ALDH1A1
SCHEMBL6454065 0.97 ALDH1A1 (0.33) TRPV4KDM1ACRBNEGLN2ALDH1A1
SCHEMBL6457971 0.97 ALDH1A1 (0.33) TRPV4KDM1ACRBNEGLN2ALDH1A1
SCHEMBL6460947 0.95 TRPV4 (0.34) TRPV4KDM1AEGLN2ALDH1A1CTSK
SCHEMBL6460945 0.95 TRPV4 (0.34) TRPV4KDM1AEGLN2ALDH1A1CTSK
SCHEMBL6458381 0.91 TRPV4 (0.35) TRPV4KDM1AEGLN2CTSKCTSC

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