SCHEMBL9501989

SCHEMBL9501989

CCCOc1ccc(-c2ccccc2C(O)CC)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36

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
SCHEMBL9500461 0.93 GABRP (0.38) MAPTALDH1A1GABRPGABRDGABRA1
SCHEMBL9500468 0.92 PPARG (0.40) LMNAMAPTGABRPGABRDGABRA1
SCHEMBL9869383 0.91 PPARG (0.42) LMNAMAPTGRM5
SCHEMBL9499035 0.91 PPARG (0.42) LMNAMAPTGRM5
SCHEMBL9498257 0.91 PPARG (0.42) LMNAMAPTGRM5
SCHEMBL9500250 0.91 PPARG (0.42) LMNAMAPTGRM5
SCHEMBL9500333 0.91 PPARG (0.42) LMNAMAPTGRM5
SCHEMBL9500781 0.90 MAPT (0.42) LMNAMAPTGABRPGABRDGABRA1
SCHEMBL9500050 0.86 CYP2A6 (0.44) LMNAGRM5
SCHEMBL9500367 0.85 ROCK2 (0.36) LMNAMAPTALDH1A1HTTATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354655-B1 1-PHENYL-1-PROPANOL DERIVATIVES CHISSO CORPORATION (JP) 1993-04-07 EP disclosed
US-5076947-A Optically active; free from temperature dependence CHISSO CORPORATION (JP) 1991-12-31 US disclosed
EP-0354655-A2 1-Phenyl-1-propanol derivatives CHISSO CORPORATION (JP) 1990-02-14 EP disclosed