SCHEMBL28101855

SCHEMBL28101855

CCC(C)C(OC=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRM5 P08912 1/20 0.40
CYP2D6 P10635 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 3/20 0.38
FFAR1 O14842 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TRPA1 O75762 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
POLB P06746 2/20 0.34
AOC3 Q16853 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL2736667 0.84 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3LMNA
SCHEMBL2736669 0.84 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3LMNA
SCHEMBL27724060 0.83 POLB (0.42) ALDH1A1POLB
SCHEMBL27702947 0.82 ALDH1A1 (0.39) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL28266022 0.81 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL27825234 0.81 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL28172933 0.81 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL27904549 0.81 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL26558297 0.81 KMT2A (0.39) CYP2D6KMT2AMEN1TAAR1AOC3
SCHEMBL27575990 0.78 LMNA (0.35) LMNAFFAR1KMT2AALDH1A1MAPT

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
CN-108892661-A Therapeutic compounds and composition 艾克赛特赫拉制药有限责任公司 2018-11-27 CN disclosed
CN-106029064-A Therapeutic compounds and compositions 艾克赛特赫拉制药有限责任公司 2016-10-12 CN disclosed