SCHEMBL9840309

SCHEMBL9840309

CC(C)OC(=O)CC(=O)OC(C)C.CN(C)c1ccc(C(=CCC=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
RAB9A P51151 5/20 0.45
HPGD P15428 4/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MCL1 Q07820 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL9839509 0.85 ALDH1A1 (0.47) ALDH1A1RAB9AHPGDHTTMAPT
Malonic Acid Diethyl Ester SCHEMBL9840328 0.81 ALDH1A1 (0.48) ALDH1A1RAB9AHPGDHTTMAPT
SCHEMBL4897408 0.79 ALDH1A1 (0.52) ALDH1A1RAB9AHPGDMAPTKDM4E
SCHEMBL9750091 0.79 ALDH1A1 (0.50) ALDH1A1RAB9AHPGDHTTMAPT
SCHEMBL9839743 0.77 ALDH1A1 (0.54) ALDH1A1RAB9AHPGDMAPTKDM4E
Dibenzoylmethane SCHEMBL9838231 0.74 RAB9A (0.56) ALDH1A1RAB9AHPGDHTTMAPT
SCHEMBL9750077 0.73 MAPT (0.53) ALDH1A1RAB9AMAPTKDM4ELMNA
SCHEMBL4457563 0.73 CA12 (0.63) ALDH1A1RAB9AHPGDHTTMAPT
SCHEMBL14099863 0.73 RAB9A (0.58) ALDH1A1RAB9AHPGDMAPTKDM4E
SCHEMBL12376683 0.70 ALDH1A1 (0.69) ALDH1A1RAB9AHPGDHTTMAPT

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-5057154-A Colorfastness, stability RICOH COMPANY, LTD. (JP) 1991-10-15 US disclosed
US-4939117-A Leuco dyes and recording material employing the same RICOH COMPANY, LTD. (JP) 1990-07-03 US disclosed