SCHEMBL9498545

SCHEMBL9498545

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
UTS2R Q9UKP6 2/20 0.52
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.43
CASP3 P42574 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
ALPG P10696 1/20 0.42
SLC6A9 P48067 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
PAX8 Q06710 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
SCHEMBL9498568 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAUTS2RKMT2A
SCHEMBL9500403 0.87 UTS2R (0.53) ALDH1A1LMNATDP1UTS2RKMT2A
SCHEMBL9499271 0.85 NPSR1 (0.53) ALDH1A1LMNATDP1UTS2RKMT2A
SCHEMBL9500265 0.82 FAAH (0.55) KMT2AMAPT
SCHEMBL22416005 0.81 PDCD1 (0.53) ALDH1A1SMN1; SMN2LMNAUTS2RKMT2A
SCHEMBL803259 0.81 PDCD1 (0.53) ALDH1A1SMN1; SMN2LMNAUTS2RKMT2A
SCHEMBL9500011 0.80 FAAH (0.53) SMN1; SMN2LMNACYP1A2
SCHEMBL1788624 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNATDP1MAPT
SCHEMBL4386993 0.78 SIGMAR1 (0.46) ALDH1A1SMN1; SMN2LMNATDP1ALPG
SCHEMBL14547167 0.78 SIGMAR1 (0.46) ALDH1A1SMN1; SMN2LMNATDP1ALPG

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