SCHEMBL9750086

SCHEMBL9750086

CC(=O)CC(=O)CC(C=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)C=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 4/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC1 Q13547 7/20 0.40
HDAC6 Q9UBN7 5/20 0.40
HDAC3 O15379 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC4 P56524 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40

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
SCHEMBL9750072 0.91 MAPT (0.47) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL9750171 0.84 MAPT (0.41) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL9839720 0.78 EGFR (0.39) ALDH1A1MAPTKDM4EPOLBHDAC1
SCHEMBL9749600 0.77 RAB9A (0.53) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL9839770 0.76 ALDH1A1 (0.54) ALDH1A1HPGDMAPTKDM4EMAPK1
SCHEMBL9749957 0.76 HDAC3 (0.40) ALDH1A1HPGDMAPTKDM4EHTT
SCHEMBL9750091 0.75 ALDH1A1 (0.50) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL11427804 0.71 ALDH1A1 (0.57) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL9838206 0.71 ALDH1A1 (0.48) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL8747387 0.70 ALDH1A1 (0.50) ALDH1A1HPGDMAPTRAB9ANPC1

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-5084593-A Cyanine, aniline dyes for heat sensitive recording elements RICOH COMPANY, LTD. (JP) 1992-01-28 US disclosed
US-5008238-A Thermosensitive material with phenolic developer RICOH COMPANY, LTD. (JP) 1991-04-16 US disclosed