SCHEMBL28485015

SCHEMBL28485015

CCCCOC(=O)C(C)(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CHRM2 P08172 5/20 0.49
CHRM1 P11229 5/20 0.49
CHRM3 P20309 5/20 0.49
CHRM4 P08173 3/20 0.49
CHRM5 P08912 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.46
CYP2D6 P10635 3/20 0.46
LMNA P02545 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL5668363 0.95 TSHR (0.53) TSHRTDP1L3MBTL1CHRM2CHRM1
SCHEMBL28139415 0.94 TSHR (0.54) TSHRTDP1L3MBTL1CHRM2CHRM1
SCHEMBL27913190 0.94 TSHR (0.54) TSHRTDP1L3MBTL1CHRM2CHRM1
Butane SCHEMBL27554526 0.92 TSHR (0.53) TSHRTDP1L3MBTL1CHRM2CHRM1
SCHEMBL5810680 0.90 LMNA (0.51) TSHRCHRM2CHRM1CHRM3CHRM4
SCHEMBL16732083 0.85 TSHR (0.53) TSHRTDP1L3MBTL1CHRM2CHRM1
SCHEMBL14258113 0.85 TSHR (0.53) TSHRTDP1L3MBTL1CHRM2CHRM1
SCHEMBL5161453 0.85 MEN1 (0.64) TSHRTDP1L3MBTL1CHRM2CHRM1
SCHEMBL10029779 0.85 CHRM2 (0.66) TSHRTDP1L3MBTL1CHRM2CHRM1
SCHEMBL27340330 0.85 TSHR (0.53) TSHRTDP1L3MBTL1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111690454-B Environment-friendly automobile power reinforcing agent and preparation method thereof 赫因道夫润滑科技(上海)有限公司 2022-04-01 CN disclosed
CN-111690454-B Environment-friendly automobile power reinforcing agent and preparation method thereof 赫因道夫润滑科技(上海)有限公司 2022-04-01 CN disclosed
CN-111690454-A Environment-friendly automobile power reinforcing agent and preparation method thereof 赫因道夫润滑科技(上海)有限公司 2020-09-22 CN disclosed
CN-111690454-A Environment-friendly automobile power reinforcing agent and preparation method thereof 赫因道夫润滑科技(上海)有限公司 2020-09-22 CN disclosed
CN-106517049-B 360 ° of large parts turnover devices of one kind and its working method 江苏建筑职业技术学院 2018-07-20 CN disclosed