SCHEMBL9855324

SCHEMBL9855324

CCCCc1ccc(Nc2c(C)cc(N3CCCC3)c3c2C2(OC3=O)c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DRD2 P14416 5/20 0.33
DRD1 P21728 3/20 0.33
POLB P06746 1/20 0.33
DRD3 P35462 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPY5R Q15761 1/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL1618246 0.91 ALDH1A1 (0.38) MAPTHTTALDH1A1CRHBPCRHR2
SCHEMBL3877302 0.88 ALDH1A1 (0.37) MAPTHTTALDH1A1NPSR1POLB
SCHEMBL9842282 0.87 ALDH1A1 (0.36) MAPTHTTALDH1A1NPSR1POLB
SCHEMBL10801759 0.79 MAPT (0.35) MAPTALDH1A1NPSR1POLBNPC1
SCHEMBL10804700 0.78 PLAUR (0.37) MAPTHTTALDH1A1RAB9AKMT2A
SCHEMBL9848550 0.77 POLB (0.36) MAPTHTTALDH1A1CRHBPCRHR2
SCHEMBL548194 0.74 CYP2C9 (0.36) MAPTHTTALDH1A1NPSR1RAB9A
SCHEMBL4750113 0.74 ALDH1A1 (0.36) MAPTHTTALDH1A1KMT2ACYP3A4
SCHEMBL339448 0.73 TLR8 (0.36) ALDH1A1RAB9AKMT2ASMN1; SMN2CYP1A2
SCHEMBL10587427 0.72 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9HPGDHSD17B10

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
EP-0414229-A2 Heat-sensitive recording material NEW OJI PAPER CO., LTD. (JP) 1991-02-27 EP disclosed
EP-0234540-A2 Heat-sensitive recording material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-09-02 EP disclosed