SCHEMBL10021996

SCHEMBL10021996

CN(C)c1ccc(/C=C/C=C2\CCCC2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ TXNRD1 Q16881 1/20 0.60
▸ CYP1A2 P05177 1/20 0.56
▸ APP P05067 6/20 0.51
▸ METAP1 P53582 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ABCB1 P08183 1/20 0.49
▸ SNCA P37840 2/20 0.45
▸ EGFR P00533 1/20 0.45
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL5428973 0.89 CYP1A2 (0.67) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL14089316 0.84 MAPT (0.45) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL2502424 0.83 TXNRD1 (0.65) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL14089317 0.81 MAPT (0.48) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL10621315 0.81 MAPT (0.93) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL10021997 0.81 MAPT (0.93) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3738691 0.81 MAPT (0.93) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL14089321 0.80 MAPT (0.47) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL1524517 0.79 ALDH1A1 (0.62) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL1524516 0.79 ALDH1A1 (0.62) MAPTNPC1RAB9ASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119041-B2 A polymerizable monomer or polymerizable oligomer and at least a two-photon absorption material containing aliphatic ketone compounds with atleast 2-8 double bonds and two aromatic or heteroaromatic rings FUJIFILM CORPORATION (JP) 2012-02-21 — — US disclosed
US-8119041-B2 A polymerizable monomer or polymerizable oligomer and at least a two-photon absorption material containing aliphatic ketone compounds with atleast 2-8 double bonds and two aromatic or heteroaromatic rings FUJIFILM CORPORATION (JP) 2012-02-21 — — US disclosed
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