SCHEMBL9617469

SCHEMBL9617469

CCOc1ccc(-c2ccc(Cc3ccccc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
NQO1 P15559 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
RELA Q04206 1/20 0.52
SIGMAR1 Q99720 1/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL10062561 0.94 LTA4H (0.63) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30167681 0.86 LTA4H (0.68) LTA4HNQO1SMN1; SMN2HPGDALDH1A1
SCHEMBL9152440 0.86 LTA4H (0.68) LTA4HNQO1SMN1; SMN2HPGDALDH1A1
SCHEMBL12726668 0.86 LTA4H (0.68) LTA4HNQO1SMN1; SMN2HPGDALDH1A1
SCHEMBL2488793 0.85 NQO1 (0.74) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL7174107 0.84 LTA4H (0.65) LTA4HNQO1SMN1; SMN2HPGDALDH1A1
SCHEMBL9617467 0.82 LMNA (0.62) LTA4HCYP1A2CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL18417193 0.81 NQO1 (0.82) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9155582 0.81 NQO1 (0.82) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5833291 0.81 NQO1 (0.82) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4039084-A None JP disclosed
JP-H0439084-A THERMAL RECORDING MATERIAL MITSUBISHI PAPER MILLS LTD 1992-02-10 JP disclosed