SCHEMBL30482829

SCHEMBL30482829

CC(C)(C)C(=C(O)C(=O)O)c1ccccc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 6/20 0.43
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.37
CA2 P00918 1/20 0.36
ALOX15 P16050 1/20 0.35
ELANE P08246 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35

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
SCHEMBL30482826 1.00 RBP4 (0.43) RBP4ALDH1A1TDP1TSHRKDM4E
SCHEMBL15366984 1.00 RBP4 (0.43) RBP4ALDH1A1TDP1TSHRKDM4E
SCHEMBL12760880 0.79 MAPK1 (0.41) RBP4ALDH1A1TDP1TSHRKDM4E
SCHEMBL31098923 0.79 MAPK1 (0.41) RBP4ALDH1A1TDP1TSHRKDM4E
SCHEMBL31028133 0.77 ALDH1A1 (0.56) ALDH1A1TDP1TSHRKDM4ECA2
SCHEMBL39249 0.77 ALDH1A1 (0.56) ALDH1A1TDP1TSHRKDM4ECA2
SCHEMBL4737094 0.75 ALDH1A1 (0.54) ALDH1A1TDP1TSHRKDM4ECA2
SCHEMBL10960705 0.75 ALDH1A1 (0.54) ALDH1A1TDP1TSHRKDM4ECA2
SCHEMBL10955296 0.75 ALDH1A1 (0.54) ALDH1A1TDP1TSHRKDM4ECA2
SCHEMBL22060 0.75 ALDH1A1 (0.54) ALDH1A1TDP1TSHRKDM4ECA2

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-116370328-A Skin care composition and external skin preparation 深圳市护家科技有限公司 2023-07-04 CN disclosed