SCHEMBL22201768

SCHEMBL22201768

CCCCC1CC2CCC(CCCc3ccc(F)cc3)C(C1)C2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL10718184 0.72 MAOB (0.47) FFAR1FFAR4HRH3
SCHEMBL23197873 0.72 MAOB (0.47) FFAR1FFAR4HRH3
SCHEMBL22201765 0.71 HRH3 (0.41) HRH3KMT2A
SCHEMBL9193391 0.71 SPHK1 (0.45) SPHK1ALDH1A1
SCHEMBL9193396 0.71 SPHK1 (0.45) SPHK1ALDH1A1
SCHEMBL10480047 0.71 MAOB (0.49) FFAR1FFAR4HRH3
SCHEMBL10480050 0.71 MAOB (0.49) FFAR1FFAR4HRH3
SCHEMBL9191061 0.71 SPHK1 (0.42) SPHK1ALDH1A1
SCHEMBL9191063 0.71 SPHK1 (0.42) SPHK1ALDH1A1
SCHEMBL9398359 0.71 SPHK1 (0.42) SPHK1ALDH1A1

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-20200216670-A1 THERMOSETTING SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A SILICON-CONTAINING FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed