SCHEMBL18653174

SCHEMBL18653174

C=C(Nc1ccc(C(C)CC[C@@H](C)c2ccc(C)cc2)cc1C)[C@@H](C)C[C@@H]1CCC[C@@H]1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.33
▸ RAB9A P51151 1/20 0.31
▸ RORC P51449 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL18653224 0.76 SMN1; SMN2 (0.35) MEN1KMT2A
SCHEMBL20707119 0.70 CCR8 (0.32) MEN1KMT2A
SCHEMBL18653070 0.69 SMN1; SMN2 (0.36) MEN1KMT2A
SCHEMBL18653128 0.69 SMN1; SMN2 (0.34) MEN1KMT2A
SCHEMBL18653152 0.68 GAA (0.33) —
SCHEMBL18653130 0.68 RIPK1 (0.35) —
SCHEMBL18653163 0.66 GAA (0.34) —
SCHEMBL18653250 0.62 SMN1; SMN2 (0.47) RAB9AMEN1KMT2A
SCHEMBL18653243 0.62 SMN1; SMN2 (0.47) RAB9AMEN1KMT2A
SCHEMBL18653233 0.62 MAPT (0.35) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 — — EP disclosed
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