SCHEMBL6452071

SCHEMBL6452071

CCCC[C@H]1CC[C@@H]2CC(c3ccc(C(=O)Oc4ccc(C#N)c(F)c4)cc3)CC[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
CYP2C9 P11712 1/20 0.34
TRPV4 Q9HBA0 4/20 0.33
ALDH1A1 P00352 2/20 0.33
PRSS1 P07477 2/20 0.33
ACR P10323 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TRPC3 Q13507 1/20 0.33
TRPC6 Q9Y210 1/20 0.33
HPGD P15428 1/20 0.32
KMT2A Q03164 2/20 0.31
KDM1A O60341 2/20 0.31
CRBN Q96SW2 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL6452073 1.00 RAB9A (0.35) RAB9ACYP2C9TRPV4ALDH1A1PRSS1
SCHEMBL6452243 0.97 RAB9A (0.35) RAB9ACYP2C9TRPV4ALDH1A1PRSS1
SCHEMBL6452238 0.97 RAB9A (0.35) RAB9ACYP2C9TRPV4ALDH1A1PRSS1
SCHEMBL6461071 0.97 ALDH1A1 (0.35) RAB9ACYP2C9TRPV4ALDH1A1PRSS1
SCHEMBL6451361 0.97 ALDH1A1 (0.35) RAB9ACYP2C9TRPV4ALDH1A1PRSS1
SCHEMBL6461066 0.97 ALDH1A1 (0.35) RAB9ACYP2C9TRPV4ALDH1A1PRSS1
SCHEMBL6451358 0.97 ALDH1A1 (0.35) RAB9ACYP2C9TRPV4ALDH1A1PRSS1
SCHEMBL6460714 0.95 CYP2C9 (0.40) RAB9ACYP2C9TRPV4ALDH1A1MAPT
SCHEMBL6460711 0.95 CYP2C9 (0.40) RAB9ACYP2C9TRPV4ALDH1A1MAPT
SCHEMBL6452687 0.91 TRPV4 (0.35) RAB9ACYP2C9TRPV4ALDH1A1MAPT

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