SCHEMBL22415331

SCHEMBL22415331

CC(Cc1ccccc1)C(=O)N1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.71
MMP8 P22894 1/20 0.63
TSHR P16473 1/20 0.58
FKBP1A P62942 2/20 0.54
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
ALOX15 P16050 1/20 0.52
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CHRM1 P11229 3/20 0.51
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.49
CTSS P25774 1/20 0.48

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
SCHEMBL8696413 0.86 HSD17B10 (0.77) HSD17B10TSHRKMT2AGAAMEN1
SCHEMBL29005257 0.85 FKBP1A (0.58) HSD17B10MMP8TSHRFKBP1AKMT2A
SCHEMBL27630775 0.84 HSD17B10 (0.75) HSD17B10TSHRKMT2AGAAALDH1A1
SCHEMBL26802538 0.84 HSD17B10 (0.75) HSD17B10TSHRKMT2AGAAALDH1A1
SCHEMBL22479134 0.83 HSD17B10 (1.00) HSD17B10CHRM1
SCHEMBL2162843 0.83 MMP8 (0.64) HSD17B10MMP8TSHRFKBP1AKMT2A
SCHEMBL5479757 0.83 MMP8 (0.64) HSD17B10MMP8TSHRFKBP1AKMT2A
SCHEMBL2162836 0.83 MMP8 (0.64) HSD17B10MMP8TSHRFKBP1AKMT2A
SCHEMBL18435192 0.82 MMP8 (0.60) HSD17B10MMP8TSHRFKBP1AKMT2A
SCHEMBL16252288 0.82 MMP8 (0.60) HSD17B10MMP8TSHRFKBP1AKMT2A

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
EP-3705476-A1 2-(1H-PYRAZOL-3-YL) PHENOL COMPOUND AND USE THEREOF Beijing Jialin Pharmaceutical Inc. (CN) 2020-09-09 EP disclosed