SCHEMBL9512581

SCHEMBL9512581

[c]1ccccc1OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.37
P2RX7 Q99572 8/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SCN5A Q14524 2/20 0.35
DHFR P00374 1/20 0.34
EPHX2 P34913 2/20 0.34

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
SCHEMBL676910 0.75 FAAH (0.30)
SCHEMBL16628135 0.74 DHFR (0.46) SCN9AP2RX7MEN1KMT2ACYP11B1
SCHEMBL1283337 0.71 SCN9A (0.39) SCN9AMEN1KMT2ASCN5ADHFR
SCHEMBL2745554 0.70 ALDH1A1 (0.32) MEN1KMT2AEPHX2
SCHEMBL4443853 0.69 P2RX7 (0.46) P2RX7CYP11B1CYP11B2EPHX2
SCHEMBL1634159 0.69 KDM4E (0.54) P2RX7MEN1KMT2A
SCHEMBL6238419 0.68 JAK2 (0.33)
SCHEMBL2746865 0.68 KDM4E (0.32) MEN1KMT2A
SCHEMBL28930432 0.68 SCN9A (0.40) SCN9ASCN5A
SCHEMBL27923627 0.68 KCNA3 (0.34)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409740-B1 Compound labelled with tritium, its preparation and use, especially in locating retinoid nuclear receptors CIRD GALDERMA (FR) 1993-11-03 EP claimed
EP-0409740-B1 Compound labelled with tritium, its preparation and use, especially in locating retinoid nuclear receptors CIRD GALDERMA (FR) 1993-11-03 EP disclosed
EP-0409740-A1 Compound labelled with tritium, its preparation and use, especially in locating retinoid nuclear receptors CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1991-01-23 EP disclosed