SCHEMBL29131712

SCHEMBL29131712

CC(C)(C)OC(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.71
▸ SMN1; SMN2 Q16637 1/20 0.71
▸ NPC1 O15118 1/20 0.63
▸ CRHBP P24387 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ CRHR2 Q13324 1/20 0.63
▸ PDK1 Q15118 1/20 0.58
▸ PDK2 Q15119 1/20 0.58
▸ PDK3 Q15120 1/20 0.58
▸ PDK4 Q16654 1/20 0.58
▸ PGR P06401 1/20 0.57
▸ FAAH O00519 1/20 0.55
▸ TGM2 P21980 1/20 0.54
▸ RNF4 P78317 1/20 0.54
▸ EPHX1 P07099 1/20 0.54
▸ NPY5R Q15761 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 1/20 0.51
▸ PNLIP P16233 1/20 0.51
▸ LIPE Q05469 1/20 0.51

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
SCHEMBL29131710 0.93 HPGD (0.59) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL19853243 0.91 MTNR1B (0.58) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL30682542 0.89 HPGD (0.55) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL20865538 0.89 CYP17A1 (0.59) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL23966382 0.87 HPGD (0.53) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL6815441 0.87 ALDH1A1 (0.69) HPGDSMN1; SMN2RAB9AFAAHALDH1A1
SCHEMBL775002 0.86 NAMPT (0.56) HPGDSMN1; SMN2NPC1RAB9APDK1
SCHEMBL20865537 0.86 HPGD (0.51) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL20469627 0.86 MEN1 (0.53) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL31483499 0.86 ALDH1A1 (0.52) 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 1 patent. 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 disclosed
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