SCHEMBL9035781

SCHEMBL9035781

[CH2]CCCCCn1ccnc1OCCCCCCOCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.47
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
APAF1 O14727 2/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRM1 P11229 3/20 0.33
HTT P42858 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CHRM2 P08172 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TBXAS1 P24557 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL28837797 0.79 TLR8 (0.57) TLR8ALDH1A1KMT2APOLBRAD52
SCHEMBL10352847 0.76 TLR8 (0.61) TLR8ALDH1A1KMT2APOLBHTT
SCHEMBL8604833 0.74 TLR8 (0.51) TLR8ALDH1A1KMT2APOLBHTT
SCHEMBL27841536 0.73 CHRNB2 (0.40) TLR8ALDH1A1KMT2APOLBAPAF1
SCHEMBL979956 0.72 THRB (0.56) ALDH1A1KMT2AHTTMAPTTDP1
SCHEMBL980259 0.72 THRB (0.56) ALDH1A1KMT2AHTTMAPTTDP1
SCHEMBL979877 0.72 THRB (0.56) ALDH1A1KMT2AHTTMAPTTDP1
SCHEMBL94926 0.72 THRB (0.56) ALDH1A1KMT2AHTTMAPTTDP1
SCHEMBL981136 0.72 THRB (0.56) ALDH1A1KMT2AHTTMAPTTDP1
SCHEMBL980132 0.72 THRB (0.56) ALDH1A1KMT2AHTTMAPTTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed