SCHEMBL9498568

SCHEMBL9498568

CCC(OC(=O)c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR1E P28566 1/20 0.47
S1PR3 Q99500 1/20 0.47
SLC6A9 P48067 1/20 0.47
NPC1 O15118 3/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
KLK7 P49862 1/20 0.46
ALPG P10696 1/20 0.46
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL6667515 0.92 ESR1 (0.53) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL3817682 0.89 TSHR (0.52) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL9498545 0.87 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL9499271 0.86 NPSR1 (0.53) ALDH1A1LMNANPSR1MAPTMEN1
SCHEMBL21396286 0.86 PDCD1 (0.61) ALDH1A1LMNAHPGDSMN1; SMN2NPSR1
SCHEMBL18464124 0.86 PDCD1 (0.61) ALDH1A1LMNAHPGDSMN1; SMN2NPSR1
SCHEMBL1129618 0.86 ESR1 (0.64) ALDH1A1LMNASMN1; SMN2NPSR1MAPT
SCHEMBL9500077 0.86 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2NPSR1MAPT
SCHEMBL9499131 0.85 UTS2R (0.60) ALDH1A1USP2HTTSLC6A9ESR1
SCHEMBL9500237 0.85 NPC1 (0.48) ALDH1A1LMNAHPGDSMN1; SMN2NPSR1

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