SCHEMBL28580465

SCHEMBL28580465

C=CCOC(=O)CCCCC1=CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 7/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
EPHX2 P34913 1/20 0.37
HTT P42858 1/20 0.37
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL16648981 0.90 KMT2A (0.44) TSHRKMT2AALDH1A1GAAMEN1
SCHEMBL472109 0.81 KMT2A (0.41) TSHRKMT2AALDH1A1MEN1TAAR1
SCHEMBL16378090 0.77 ALDH1A1 (0.49) TSHRKMT2AALDH1A1GAAMEN1
SCHEMBL11616058 0.77 CYP4F2 (0.48) TSHRKMT2AALDH1A1MEN1MAPT
SCHEMBL18989246 0.77 TSHR (0.49) TSHRKMT2AALDH1A1GAAMEN1
SCHEMBL10424628 0.77 CYP3A4 (0.38) TSHRKMT2AALDH1A1GAAMEN1
SCHEMBL10760634 0.76 MEN1 (0.41) KMT2AALDH1A1MEN1TAAR1MAPT
SCHEMBL14262638 0.76 MEN1 (0.42) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL11700549 0.76 CYP4F2 (0.47) TSHRKMT2AALDH1A1MEN1MAPT
SCHEMBL988106 0.76 ALDH1A1 (0.50) KMT2AALDH1A1MEN1TAAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed