SCHEMBL29503546

SCHEMBL29503546

CCC(C)c1ccc(C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
LMNA P02545 1/20 0.40
TRPA1 O75762 1/20 0.39
PTGS1 P23219 1/20 0.39
CACNA1C Q13936 1/20 0.39
TSHR P16473 2/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCL1 Q07820 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL11057467 1.00 ALDH1A1 (0.50) ALDH1A1USP2GAAPKMHPGD
SCHEMBL18653134 0.84 LMNA (0.41) ALDH1A1USP2GAAPKMHPGD
SCHEMBL11868562 0.83 ALDH1A1 (0.47) ALDH1A1USP2GAAPKMHPGD
SCHEMBL26968741 0.83 LMNA (0.63) ALDH1A1USP2GAAPKMHPGD
SCHEMBL14645078 0.81 USP2 (0.46) ALDH1A1USP2GAAPKMHPGD
SCHEMBL8281294 0.81 ALDH1A1 (0.46) ALDH1A1USP2GAAPKMHPGD
SCHEMBL22451858 0.81 GAA (0.46) ALDH1A1USP2GAAPKMHPGD
SCHEMBL20811478 0.81 ALDH1A1 (0.46) ALDH1A1USP2GAAPKMHPGD
SCHEMBL97663 0.81 GAA (0.65) ALDH1A1USP2GAAPKMHPGD
SCHEMBL8343177 0.81 ALDH1A1 (0.46) ALDH1A1USP2GAAPKMHPGD

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-106715502-B Polymerizable composition, transparent resin, optical material, plastic lens, and method for producing transparent resin 豪雅镜片泰国有限公司 2022-03-22 CN disclosed