SCHEMBL9178609

SCHEMBL9178609

CCC(C)c1cc(Cl)cc(C(C)CC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
TSHR P16473 4/20 0.33
CYP2C9 P11712 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ORAI1 Q96D31 1/20 0.32
TRPA1 O75762 1/20 0.31

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
SCHEMBL7644300 0.95 TSHR (0.40) ALDH1A1USP2GAAPKMHPGD
SCHEMBL10289777 0.95 TSHR (0.40) ALDH1A1USP2GAAPKMHPGD
SCHEMBL17071843 0.95 TSHR (0.40) ALDH1A1USP2GAAPKMHPGD
SCHEMBL22861020 0.93 ALDH1A1 (0.36) ALDH1A1USP2GAAPKMHPGD
SCHEMBL19430514 0.87 NR3C1 (0.36) ALDH1A1USP2GAAPKMHPGD
SCHEMBL11686432 0.87 ALDH1A1 (0.46) ALDH1A1USP2GAAPKMHPGD
SCHEMBL22573104 0.85 CYP3A4 (0.46) ALDH1A1USP2GAAPKMHPGD
SCHEMBL18713530 0.85 USP2 (0.38) ALDH1A1USP2GAAPKMHPGD
SCHEMBL18893300 0.83 ALDH1A1 (0.37) ALDH1A1USP2GAAPKMHPGD
SCHEMBL25469507 0.82 USP2 (0.33) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509818-B1 Silent markers for petroleum, method of tagging, and method of detection MORTON INT INC (US) 1995-07-26 EP claimed
EP-0509818-A1 Silent markers for petroleum, method of tagging, and method of detection MORTON INTERNATIONAL, INC. (US) 1992-10-21 EP claimed
EP-0509818-B1 Silent markers for petroleum, method of tagging, and method of detection MORTON INT INC (US) 1995-07-26 EP disclosed