SCHEMBL7289971

SCHEMBL7289971

CCCCCCCCCOc1ccc(-c2ccc(C=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
HPGD P15428 3/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
RARB P10826 3/20 0.60
NR5A1 Q13285 1/20 0.54
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
PLA2G4B P0C869 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LTA4H P09960 2/20 0.49
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3071049 1.00 ALDH1A1 (0.61) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL3086009 1.00 ALDH1A1 (0.61) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL2123631 1.00 ALDH1A1 (0.61) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL7288765 0.98 ALDH1A1 (0.63) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL13739981 0.98 ALDH1A1 (0.63) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL1864244 0.95 ALDH1A1 (0.67) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL10497693 0.95 ALDH1A1 (0.67) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL585375 0.95 ALDH1A1 (0.67) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL1164373 0.95 ALDH1A1 (0.67) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL1164661 0.95 ALDH1A1 (0.67) ALDH1A1HPGDLMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644199-B1 Cyclic antimicrobial peptides and preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 2000-07-19 EP disclosed
US-5693750-A MICROBIOCIDAL ACTION AGAINST PNEUMOCYSTIS INFECTIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-12-02 US disclosed
US-5569646-A TREATMENT OF PNEUMONIA; MICROBIOCIDES, FUNGICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-29 US disclosed
EP-0644199-A1 Cyclic antimicrobial peptides and preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-22 EP disclosed