SCHEMBL28634307

SCHEMBL28634307

CC(C)(C)c1cccc(C(C)(C)C)c1OCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
FFAR4 Q5NUL3 6/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.44
RBP4 P02753 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NR1H4 Q96RI1 1/20 0.41
FFAR1 O14842 2/20 0.40
VCAM1 P19320 1/20 0.40

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
SCHEMBL28378379 0.92 LMNA (0.47) ALDH1A1GAANPSR1RBP4KDM4E
SCHEMBL28378641 0.81 KMT2A (0.55) NPSR1NR1H4
SCHEMBL20475475 0.78 VCAM1 (0.42) FFAR4TSHRFFAR1VCAM1
SCHEMBL27934690 0.77 ALDH1A1 (0.46) ALDH1A1GAATSHRKDM4E
SCHEMBL6362758 0.75 LMNA (0.53) ALDH1A1GAAFFAR4NPSR1TSHR
SCHEMBL27511682 0.74 ALDH1A1 (0.47) ALDH1A1GAATSHRKDM4E
SCHEMBL7786421 0.74 NPSR1 (0.46) ALDH1A1GAAFFAR4NPSR1NR1H4
Elsibucol SCHEMBL6002307 0.74 VCAM1 (0.73) VCAM1
SCHEMBL13449878 0.74 VCAM1 (0.59) FFAR4TSHRFFAR1VCAM1
SCHEMBL9780586 0.74 KMT2A (0.65) FFAR4TSHRFFAR1

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-113493874-B Method for purifying high-purity scandium salt 福建省长汀金龙稀土有限公司 2022-12-13 CN disclosed
CN-113493874-A Method for purifying high-purity scandium salt 厦门钨业股份有限公司 2021-10-12 CN disclosed