SCHEMBL11290458

SCHEMBL11290458

C[N+](C)(C)CC(O)C1=CC2(CCCC2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39

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
SCHEMBL11292503 0.89 APOBEC3A (0.32) APOBEC3AAPOBEC3G
SCHEMBL11295572 0.84 LMNA (0.37)
SCHEMBL11290081 0.81 IDO1 (0.32)
SCHEMBL11289410 0.81
SCHEMBL11290087 0.81 SLC6A2 (0.36)
SCHEMBL31452460 0.81 SLC6A4 (0.34)
SCHEMBL11288858 0.81 SLC6A4 (0.34)
SCHEMBL11290059 0.81 RIPK1 (0.30)
SCHEMBL11294673 0.80 SLC6A4 (0.34)
SCHEMBL11349725 0.80 ADRB2 (0.41)

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-0000825-B1 GEMINALLY DISUBSTITUTED INDENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Kabi AB (SE) 1982-04-14 EP disclosed
US-4218472-A USED AS DECONGESANT, HYPOTENSIVE AGENT, VASOCONSTRICTOR, ANTI-RESERPINE AGENT, TREATING INCONTINENCE AB KABI (SE) 1980-08-19 US disclosed
EP-0000825-A1 Geminally disubstituted indene derivatives, processes for their preparation and pharmaceutical compositions containing them Kabi AB (SE) 1979-02-21 EP disclosed