SCHEMBL6451964

SCHEMBL6451964

C[C@H]1CC[C@@H]2CC(c3ccc(C(=O)Oc4ccc(C(F)(F)F)cc4)cc3F)CC[C@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
SRD5A1 P18405 2/20 0.39
SRD5A2 P31213 2/20 0.39
TRPV1 Q8NER1 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
LIPE Q05469 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33

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
SCHEMBL6451967 1.00 PRSS1 (0.39) PRSS1ACRSRD5A1SRD5A2TRPV1
SCHEMBL6453527 0.91 EPHX2 (0.36) MAPTLIPETAS1R3TAS1R1TAS1R2
SCHEMBL6453530 0.91 EPHX2 (0.36) MAPTLIPETAS1R3TAS1R1TAS1R2
SCHEMBL6457287 0.90 TTR (0.38) SRD5A1SRD5A2MEN1KMT2AMAPT
SCHEMBL6457292 0.90 TTR (0.38) SRD5A1SRD5A2MEN1KMT2AMAPT
SCHEMBL6455915 0.89 TDP1 (0.41) PRSS1ACRTRPV1SMN1; SMN2MEN1
SCHEMBL6452087 0.89 ALDH1A1 (0.40) PRSS1ACRSRD5A1SRD5A2SMN1; SMN2
SCHEMBL6452092 0.89 ALDH1A1 (0.40) PRSS1ACRSRD5A1SRD5A2SMN1; SMN2
SCHEMBL6455921 0.89 TDP1 (0.41) PRSS1ACRTRPV1SMN1; SMN2MEN1
SCHEMBL6464036 0.88 TRPV1 (0.41) SRD5A1TRPV1SMN1; SMN2MEN1KMT2A

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