SCHEMBL6458378

SCHEMBL6458378

CC[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 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 8/20 0.35
TRPA1 O75762 1/20 0.32
EGLN2 Q96KS0 2/20 0.32
CTSC P53634 4/20 0.32
CTSK P43235 2/20 0.32
KDM1A O60341 2/20 0.32
SCN9A Q15858 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL6458381 1.00 TRPV4 (0.35) TRPV4TRPA1EGLN2CTSCCTSK
SCHEMBL6460947 0.93 TRPV4 (0.34) TRPV4EGLN2CTSCCTSKKDM1A
SCHEMBL6460945 0.93 TRPV4 (0.34) TRPV4EGLN2CTSCCTSKKDM1A
SCHEMBL6462478 0.91 TRPV4 (0.33) TRPV4EGLN2CTSCCTSKKDM1A
SCHEMBL6462477 0.91 TRPV4 (0.33) TRPV4EGLN2CTSCCTSKKDM1A
SCHEMBL6455197 0.90 TRPV4 (0.33) TRPV4EGLN2KDM1A
SCHEMBL6455195 0.90 TRPV4 (0.33) TRPV4EGLN2KDM1A
SCHEMBL6457977 0.90 ALDH1A1 (0.33) TRPV4EGLN2KDM1ANPC1
SCHEMBL6457971 0.90 ALDH1A1 (0.33) TRPV4EGLN2KDM1ANPC1
SCHEMBL6454065 0.90 ALDH1A1 (0.33) TRPV4EGLN2KDM1ANPC1

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