SCHEMBL11520908

SCHEMBL11520908

CC(CP(=O)(CC(C)c1ccccc1)CC(C)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
AOC3 Q16853 2/20 0.47
TRPA1 O75762 4/20 0.45
RIPK1 Q13546 1/20 0.45
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SRC P12931 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL5040308 0.83 SRC (0.54) TAAR1TRPA1SRC
SCHEMBL31536480 0.81 TAAR1 (0.47) TAAR1AOC3ALDH1A1POLB
SCHEMBL31536481 0.81 TAAR1 (0.47) TAAR1AOC3ALDH1A1POLB
SCHEMBL27654575 0.79 TAAR1 (0.45) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL27654581 0.77 MAPT (0.57) TAAR1ALDH1A1HPGDPOLB
SCHEMBL8715487 0.73 TAAR1 (0.58) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL709925 0.73 TAAR1 (0.58) TAAR1AOC3TRPA1RIPK1POLB
SCHEMBL3672929 0.72 TRPA1 (0.67) TAAR1AOC3TRPA1RIPK1ALDH1A1
SCHEMBL6280516 0.72 RIPK1 (0.67) TAAR1AOC3TRPA1RIPK1
SCHEMBL11046082 0.71 TAAR1 (0.68) TAAR1AOC3TRPA1RIPK1NPC1

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-4153809-A TRIHYDROCARBYLPHOSPHINE OXIDE AS THE EXTRACTION AGENT CHEVRON RESEARCH COMPANY (US) 1979-05-08 US disclosed