SCHEMBL6464036

SCHEMBL6464036

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 6/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2C9 P11712 2/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
SRD5A1 P18405 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CCR6 P51684 1/20 0.33
FPR1 P21462 2/20 0.33
FPR2 P25090 1/20 0.33
IDO1 P14902 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
SCHEMBL6464039 1.00 TRPV1 (0.41) TRPV1HTTKMT2AMEN1SMN1; SMN2
SCHEMBL6457292 0.92 TTR (0.38) KMT2AMEN1MAPTSRD5A1TDP1
SCHEMBL6457287 0.92 TTR (0.38) KMT2AMEN1MAPTSRD5A1TDP1
SCHEMBL6455921 0.91 TDP1 (0.41) TRPV1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6452092 0.91 ALDH1A1 (0.40) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL6455915 0.91 TDP1 (0.41) TRPV1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6452087 0.91 ALDH1A1 (0.40) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL6454150 0.91 GRIN1 (0.37) TRPV1SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL6454153 0.91 GRIN1 (0.37) TRPV1SMN1; SMN2MAPTALDH1A1GAA
SCHEMBL6453527 0.89 EPHX2 (0.36) MAPT

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