SCHEMBL9044982

SCHEMBL9044982

[CH2]CCC(C=O)OCCCC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.31
CTSK P43235 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL9042942 0.88 TSHR (0.30) TSHRSMN1; SMN2
SCHEMBL11498364 0.86 TSHR (0.40) TSHRSMN1; SMN2HPGDATMCTSK
SCHEMBL10432238 0.84 TSHR (0.35) TSHRSMN1; SMN2HPGDATMADH1B
SCHEMBL13354395 0.82 ADH1B (0.41) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL19812640 0.81 DNM1 (0.37) TSHRSMN1; SMN2ATMCTSKADH1B
SCHEMBL7042893 0.81 TSHR (0.43) TSHRSMN1; SMN2ATMADH1BADH1C
SCHEMBL4641210 0.79
SCHEMBL7679115 0.79 TSHR (0.41) TSHRSMN1; SMN2HPGDATMCTSK
SCHEMBL11808895 0.78 TSHR (0.45) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL5634635 0.77 DNM1 (0.41) TSHRADH1BADH1CADH1AADH7

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-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed