SCHEMBL14628675

SCHEMBL14628675

CC1(C)CC2=C3C(C1)OC(=O)c1ccccc1C(=O)OC3CC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAOB P27338 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPT P10636 4/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
GAA P10253 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL14084703 0.68 ALOX15 (0.37) MAOBLMNATDP1ALOX15MAPT
SCHEMBL21612682 0.65 ALDH1A1 (0.48) TDP1ALOX15MEN1ALDH1A1HPGD
SCHEMBL5750856 0.64 LMNA (0.36) LMNAKDM4EGAAPOLB
SCHEMBL11929053 0.63 ALDH1A1 (0.47) TDP1ALOX15MEN1ALDH1A1HPGD
SCHEMBL11577792 0.63 MAOA (0.45) CYP1A2CYP2C9CYP2C19MAOBNPSR1
SCHEMBL18892737 0.62 ALOX15 (0.48) MAOBNPSR1LMNATDP1ALOX15
SCHEMBL14628677 0.62 ALDH1A1 (0.36) CYP1A2CYP2C9CYP2C19MAOBLMNA
SCHEMBL8434604 0.61 MAOB (0.50) MAOBMAPTCYP3A4ALDH1A1KDM4E
SCHEMBL9317821 0.61 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19LMNATDP1
SCHEMBL9722584 0.59 MAOA (0.41) MAOBTDP1ALOX15MEN1ALDH1A1

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
EP-1024402-B1 Silver halide photographic light-sensitive material and image forming method FUJI PHOTO FILM CO LTD (JP) 2007-01-24 EP disclosed