SCHEMBL28612387

SCHEMBL28612387

C[C@H]1C=CCCC1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
POLB P06746 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
APEX1 P27695 1/20 0.33
CYP2C19 P33261 1/20 0.32
GRM2 Q14416 1/20 0.31
GABRR1 P24046 1/20 0.31
KDM4E B2RXH2 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
SLC1A2 P43004 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
SCHEMBL28613678 1.00 MAPT (0.40) MAPTPOLBTDP1CTDSP1ALDH1A1
SCHEMBL18952428 1.00 MAPT (0.40) MAPTPOLBTDP1CTDSP1ALDH1A1
SCHEMBL27336702 0.98 MAPT (0.39) MAPTPOLBTDP1CTDSP1ALDH1A1
Ammonia Solution, Strong SCHEMBL27340797 0.98 MAPT (0.39) MAPTPOLBTDP1CTDSP1ALDH1A1
SCHEMBL1783386 0.83 MAPT (0.56) MAPTPOLBTDP1CTDSP1
SCHEMBL18952446 0.79 MAPT (0.35) MAPT
SCHEMBL14540357 0.78 MAPT (0.40) MAPT
SCHEMBL27337938 0.78 MAPT (0.47) MAPT
SCHEMBL26451960 0.78 MAPT (0.47) MAPT
SCHEMBL10787960 0.77 MAPT (0.38) MAPT

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-108430963-B Compound (I) 奇华顿股份有限公司 2021-08-20 CN disclosed