SCHEMBL29131710

SCHEMBL29131710

CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)OC(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.53
CRHBP P24387 1/20 0.53
RAB9A P51151 1/20 0.53
CRHR2 Q13324 1/20 0.53
CYP17A1 P05093 2/20 0.52
PSMB8 P28062 1/20 0.50
NAMPT P43490 1/20 0.50
LIPE Q05469 1/20 0.49
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL20865538 0.95 CYP17A1 (0.59) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL29131712 0.93 HPGD (0.71) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL23966382 0.93 HPGD (0.53) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL20469627 0.92 MEN1 (0.53) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL20865537 0.92 HPGD (0.51) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL31483499 0.92 ALDH1A1 (0.52) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL19853243 0.91 MTNR1B (0.58) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL23637726 0.91 CYP17A1 (0.63) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL13055402 0.90 CYP17A1 (0.59) SMN1; SMN2CYP17A1PSMB8NAMPTLIPE
SCHEMBL20131942 0.89 HPGD (0.49) HPGDSMN1; SMN2NPC1CRHBPRAB9A

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
CN-116813488-A Preparation method of bis (4-aminophenoxy) benzene compound 天津众泰材料科技有限公司 2023-09-29 CN claimed
CN-116813488-A Preparation method of bis (4-aminophenoxy) benzene compound 天津众泰材料科技有限公司 2023-09-29 CN disclosed