SCHEMBL8405052

SCHEMBL8405052

[CH2]CCCCCCCCCCCC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.56
CYP1A2 P05177 1/20 0.48
KDM5A P29375 3/20 0.38
PHF8 Q9UPP1 3/20 0.38
KDM2A Q9Y2K7 3/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM4A O75164 1/20 0.37
EPHX1 P07099 1/20 0.35
NAAA Q02083 2/20 0.34
GPR84 Q9NQS5 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1867938 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL15971435 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL3026718 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL22445 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL5707624 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL10385540 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL2407510 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL2877973 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL8499356 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL65834 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2KDM5APHF8KDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5910595-A Process for preparing oximidazoles SALSBURY CHEMICALS, INC. (US) 1999-06-08 US disclosed
US-5081245-A Selective antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
EP-0356765-A2 Carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-03-07 EP disclosed