SCHEMBL11243890

SCHEMBL11243890

CC(C)c1cccc(C(C)C)c1OP(=O)(Oc1c(C(C)C)cccc1C(C)C)Oc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRB2 P47870 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
LMNA P02545 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL29103077 0.88 GABRA1 (0.38) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL22321995 0.85 ELANE (0.47) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL13152411 0.85 GABRA1 (0.41) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL29103074 0.83 GABRA1 (0.40) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL29158139 0.83 GABRA1 (0.45) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL195025 0.83 INPPL1 (0.53) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL2154615 0.83 GABRA1 (0.40) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL31127740 0.82 LMNA (0.33) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL13823815 0.82 GABRA1 (0.43) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL2154498 0.82 INPPL1 (0.52) GABRA1GABRB2GABRG2GABRB3LMNA

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-4351780-A Process for preparing isopropylphenyl/phenyl phosphate STAUFFER CHEMICAL COMPANY (US) 1982-09-28 US disclosed