SCHEMBL11245133

SCHEMBL11245133

COC1=C([PH](c2ccccc2)(c2ccccc2)c2ccccc2)CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL11142208 0.98 CA4 (0.32) CA4
SCHEMBL11227955 0.95 EGFR (0.33) CA4
SCHEMBL11234291 0.81 ALDH1A1 (0.32)
Iodide SCHEMBL11137509 0.80 ALDH1A1 (0.31)
SCHEMBL11228438 0.79 ALDH1A1 (0.32)
SCHEMBL11228647 0.77 MAOB (0.38) SLC6A2SLC6A3
SCHEMBL11236572 0.77 GLA (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL11233451 0.76 ALDH1A1 (0.32)
Bromide SCHEMBL11140930 0.76 MAOB (0.37) SLC6A2SLC6A3
Bromide SCHEMBL11147068 0.76 GLA (0.39) SLC6A2SLC6A4SLC6A3

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-4336252-A 1-Cycloalkyl phosphonium salts G. D. SEARLE & CO. (US) 1982-06-22 US claimed