SCHEMBL9068488

SCHEMBL9068488

CC(C)c1cccc(C(C)(C)C)c1OP(Cl)Oc1c(C(C)C)cccc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
CYP3A4 P08684 2/20 0.34
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
GABRA1 P14867 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
HTR2B P41595 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL9068743 0.84 GABRA1 (0.43) CA2CYP3A4FAAHCA1LMNA
SCHEMBL8395122 0.84 CA2 (0.43) CA2GABRA1TSHRGABRB2ALDH1A1
SCHEMBL7635494 0.80 CA2 (0.40) CA2CYP3A4FAAHCA1LMNA
SCHEMBL14560669 0.79 CA2 (0.39) CA2CYP3A4FAAHCA1LMNA
SCHEMBL49976 0.77 GABRA1 (0.42) CA2CYP3A4FAAHCA1LMNA
SCHEMBL9068401 0.74 SCN5A (0.39) TSHRALDH1A1
SCHEMBL9068223 0.73 KDM4E (0.38) CYP3A4LMNASLC6A2HTR2CHTR2B
SCHEMBL20696113 0.73 GABRA1 (0.40) CA2CYP3A4FAAHCA1LMNA
SCHEMBL10343213 0.72 CA2 (0.48) CA2CYP1A2GABRA1TSHRGABRB2
SCHEMBL13408064 0.72 ALDH1A1 (0.40) TSHRALDH1A1

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
US-5521237-A HEAT, OXIDATION, AND RADIATION RESISTANT POLYOLEFINS FOR PROTECTIVE COATINGS THAT RESIST DISCOLORATION CIBA-GEIGY CORPORATION (US) 1996-05-28 US disclosed