SCHEMBL18653233

SCHEMBL18653233

C=C(Nc1cc([C@H](C)CCC(C)c2ccc(C)c(C)c2)ccc1C)C(C)CCCC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MYOC Q99972 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ GFER P55789 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
SCHEMBL18653128 0.93 SMN1; SMN2 (0.34) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL18653070 0.86 SMN1; SMN2 (0.36) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL18653224 0.84 SMN1; SMN2 (0.35) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL18653152 0.77 GAA (0.33) GAASMN1; SMN2HPGD
SCHEMBL18653130 0.77 RIPK1 (0.35) LMNAGAASMN1; SMN2HPGDNPSR1
SCHEMBL18653238 0.77 LMNA (0.35) MAPTALDH1A1LMNATAS1R3TAS1R1
SCHEMBL25006760 0.76 PGR (0.47) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL18653163 0.75 GAA (0.34) GAASMN1; SMN2HPGD
SCHEMBL18653243 0.74 SMN1; SMN2 (0.47) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL18653250 0.74 SMN1; SMN2 (0.47) MAPTALDH1A1LMNAMEN1KMT2A

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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