SCHEMBL25801955

SCHEMBL25801955

O=C(O)COOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.52
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 1/20 0.48
AKR1B1 P15121 1/20 0.48
TSHR P16473 2/20 0.46
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KEAP1 Q14145 1/20 0.45

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
Bicarbonate SCHEMBL9066694 0.86 ALDH1A1 (0.58) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL177923 0.81 TSHR (0.67) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL231282 0.80 TSHR (0.61) PAMALDH1A1KMT2AMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL7053203 0.78 TSHR (0.58) PAMALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL4226282 0.78 TSHR (0.58) PAMALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL4363419 0.78 TSHR (0.63) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
Water SCHEMBL28419682 0.78 TSHR (0.63) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL1041654 0.76 ALDH1A1 (0.52) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL5167833 0.76 ALDH1A1 (0.52) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL8775706 0.75 TSHR (0.54) PAMALDH1A1KMT2AMAPK1L3MBTL1

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
WO-2023125738-A1 LIPID AND COMPOSITION USED FOR DELIVERY 江苏恒瑞医药股份有限公司 2023-07-06 WO disclosed