SCHEMBL28831712

SCHEMBL28831712

C=CCCC(C)(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPT P10636 2/20 0.41
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.37
TAAR1 Q96RJ0 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
SCHEMBL15611530 0.81 NR1H2 (0.38) HSP90AA1HSP90AB1HTTSMN1; SMN2LMNA
SCHEMBL3190736 0.81 CYP2C19 (0.48) ALDH1A1MAPTCYP2C19SLC6A4SLC6A3
SCHEMBL19419845 0.80 CYP1A2 (0.47) ALDH1A1TSHRMAPTCYP2C19KDM4E
SCHEMBL9888403 0.80 SMN1; SMN2 (0.48) ALDH1A1TSHRCYP2C19KDM4EHTT
SCHEMBL9317928 0.80 MAPK1 (0.41) ALDH1A1TSHRMAPTCYP2C19KDM4E
SCHEMBL335125 0.80 ALDH1A1 (0.53) ALDH1A1TSHRHSP90AA1MAPTCYP2C19
SCHEMBL10865897 0.80 TAAR1 (0.48) ALDH1A1TSHRMAPTCYP2C19KDM4E
SCHEMBL15242554 0.80 ALDH1A1 (0.53) ALDH1A1TSHRHSP90AA1MAPTCYP2C19
SCHEMBL4449853 0.80 CYP2C9 (0.42) ALDH1A1TSHRMAPTLMNA
SCHEMBL3190448 0.77 SIGMAR1 (0.47) ALDH1A1CYP2C19SLC6A4SLC6A3SMN1; SMN2

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-114847358-A Non-dairy cheese replica comprising a coacervate 非凡食品有限公司 2022-08-05 CN disclosed