SCHEMBL14033181

SCHEMBL14033181

CC(C)(C)COc1ccc(C(O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
ELANE P08246 1/20 0.45
RIPK1 Q13546 1/20 0.43
SRD5A2 P31213 1/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.42
CYP2D6 P10635 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDK2 Q15119 1/20 0.40
FFAR1 O14842 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.38
HTT P42858 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL14033981 0.83 SCN4A (0.39) LTA4HRIPK1CYP2D6MEN1KMT2A
SCHEMBL14033384 0.83 CYP17A1 (0.51) LTA4HSRD5A2LMNAMAPTCYP2D6
SCHEMBL14622082 0.81 PDK2 (0.37) LTA4HRIPK1MEN1KMT2APDK2
SCHEMBL11420513 0.80 LTA4H (0.57) LTA4HSRD5A2LMNACYP2D6MEN1
SCHEMBL677488 0.79 KCNA3 (0.50) LTA4HRIPK1LMNACYP2D6PDK2
SCHEMBL13141341 0.77 NQO1 (0.48) LTA4HMAPTMEN1KMT2APDK2
SCHEMBL14366325 0.77 LTA4H (0.62) LTA4HSRD5A2LMNATAAR1
SCHEMBL18287924 0.77 ELANE (0.49) LTA4HELANERIPK1SRD5A2
SCHEMBL7267685 0.76 LTA4H (0.57) LTA4HSRD5A2LMNAMAPTCYP2D6
SCHEMBL7462021 0.76 NPC1 (0.51) LTA4HLMNAMAPTHPGDCASP3

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
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed