SCHEMBL21755730

SCHEMBL21755730

C=C/C(=C\C=C(/C)N)Oc1ccc(C(C)(C)C2(C)C=CC(Oc3ccc(N)cc3)=CC2)cc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL21755729 0.82 ALDH1A1 (0.46) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL22035385 0.74 TDP1 (0.35) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL20245854 0.68 MAPT (0.46) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL19821402 0.68 NPC1 (0.30) NPC1MAPTRAB9A
SCHEMBL13114846 0.63 TGM2 (0.35) MAPTALDH1A1
SCHEMBL23452999 0.61 ALDH1A1 (0.33) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL24242238 0.60 NCOA1 (0.41) NPC1MAPTRAB9AALDH1A1
SCHEMBL23139210 0.59 TDP1 (0.40) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL16454929 0.58 ALDH1A1 (0.41) NPC1MAPTRAB9AALDH1A1HPGD
SCHEMBL25083097 0.56 TDP1 (0.38) NPC1MAPTRAB9AALDH1A1MAPK1

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-3613790-A1 NEW FORMULATION METHODOLOGY FOR DISTORTIONAL THERMOSETS The Boeing Company (US) 2020-02-26 EP disclosed