SCHEMBL28545758

SCHEMBL28545758

Oc1ccccc1-c1cccnc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
PDE5A O76074 1/20 0.47
IDO1 P14902 4/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
BCL2L1 Q07817 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MMP2 P08253 1/20 0.43
CHRM1 P11229 1/20 0.43
TSHR P16473 1/20 0.43
COMT P21964 1/20 0.43
ADRA1A P35348 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CYP19A1 P11511 1/20 0.43
CASP6 P55212 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CCNB2 O95067 1/20 0.41

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
SCHEMBL29594708 1.00 RIPK1 (0.47) RIPK1PDE5AIDO1ALDH1A1HPGD
SCHEMBL2592408 0.88 TDP1 (0.44) RIPK1PDE5AALDH1A1L3MBTL1MMP2
SCHEMBL29693684 0.80 PTPRC (0.50) RIPK1PDE5AIDO1ALDH1A1HPGD
SCHEMBL3434698 0.80 PTPRC (0.50) RIPK1PDE5AIDO1ALDH1A1HPGD
SCHEMBL19475174 0.78 ALDH1A1 (0.54) IDO1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3962961 0.78 NPC1 (0.48) RIPK1PDE5AIDO1ALDH1A1HPGD
SCHEMBL20041412 0.78 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2KDM4ENPC1CYP3A4
SCHEMBL30777260 0.78 PTPRC (0.48) RIPK1PDE5AIDO1ALDH1A1HPGD
SCHEMBL16196249 0.78 MKNK1 (0.47) RIPK1PDE5AIDO1ALDH1A1HPGD
SCHEMBL4446669 0.78 MKNK1 (0.46) RIPK1PDE5AIDO1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112010906-B Bisphosphite and preparation method and application thereof 中国海洋石油集团有限公司 2021-09-28 CN claimed
CN-112010906-A Bisphosphite and preparation method and application thereof 中国海洋石油集团有限公司 2020-12-01 CN claimed
WO-2022041617-A1 DIPHOSPHITE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国海洋石油集团有限公司 2022-03-03 WO disclosed
CN-112010906-B Bisphosphite and preparation method and application thereof 中国海洋石油集团有限公司 2021-09-28 CN disclosed
CN-112010906-A Bisphosphite and preparation method and application thereof 中国海洋石油集团有限公司 2020-12-01 CN disclosed