SCHEMBL14437149

SCHEMBL14437149

CCCc1cc(=O)oc2cc3c(cc12)N(C)CCN3CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.49
KDM4E B2RXH2 11/20 0.49
HPGD P15428 8/20 0.49
HSD17B10 Q99714 6/20 0.49
POLB P06746 4/20 0.49
TSHR P16473 3/20 0.49
MAPT P10636 2/20 0.48
ALDH1A2 O94788 1/20 0.48
ALDH2 P05091 1/20 0.48
ALDH1B1 P30837 1/20 0.48
ALDH1A3 P47895 1/20 0.48
HSD17B3 P37058 1/20 0.46
KMT2A Q03164 4/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 5/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40
GLA P06280 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
SCHEMBL14437118 0.70 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL19002490 0.70 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL6836133 0.68 MCL1 (0.68) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL18659846 0.68 PRKDC (0.45) ALDH1A1HPGDPOLBMAPTKMT2A
SCHEMBL18659843 0.67 CYP1A2 (0.38) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL11380969 0.66 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL13744729 0.65 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL14437130 0.65 KMT2A (0.43) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL19002396 0.65 HSD17B3 (0.70) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL12732259 0.65 NR3C1 (0.34) AR

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-20070184386-A1 Optical recording material and optical recording medium MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-09 US disclosed
US-20070184386-A1 Optical recording material and optical recording medium MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-09 US disclosed