SCHEMBL9750115

SCHEMBL9750115

COC(=O)C(C(=O)OC)C(C=C(c1ccc(Cl)cc1)c1ccc(N(C)C)cc1)C=C(c1ccc(Cl)cc1)c1ccc(N(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 5/20 0.45
MAPT P10636 5/20 0.45
KMT2A Q03164 1/20 0.45
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
HPGD P15428 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
RAB9A P51151 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9749589 0.88 RAB9A (0.50) ALDH1A1POLBTDP1KDM4EMAPT
SCHEMBL9750046 0.88 ALDH1A1 (0.44) ALDH1A1POLBTDP1KDM4EMAPT
SCHEMBL9750389 0.87 MAOB (0.50) ALDH1A1POLBKDM4EMAPTKMT2A
SCHEMBL9838206 0.77 ALDH1A1 (0.48) ALDH1A1POLBTDP1KDM4EMAPT
SCHEMBL9750108 0.76 MAOB (0.47) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL9749954 0.73 MAPT (0.45) ALDH1A1POLBKDM4EMAPTKMT2A
SCHEMBL9839770 0.73 ALDH1A1 (0.54) ALDH1A1POLBTDP1KDM4EMAPT
SCHEMBL9839519 0.72 RAB9A (0.54) ALDH1A1POLBTDP1KDM4EMAPT
SCHEMBL9839717 0.70 HDAC3 (0.43) ALDH1A1POLBKDM4EKMT2AHPGD
SCHEMBL10840719 0.69 ALDH1A1 (0.70) ALDH1A1POLBTDP1KDM4EMAPT

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