SCHEMBL30436701

SCHEMBL30436701

Cc1cc2occ(CO)c2cc1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.50
SIRT1 Q96EB6 1/20 0.44
MCL1 Q07820 1/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 3/20 0.40
MAOB P27338 1/20 0.39
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MTNR1A P48039 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 2/20 0.36
SHBG P04278 1/20 0.34
TSHR P16473 2/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL23218192 0.81 PTPN1 (0.49) ALOX15SIRT1KMT2AMEN1MAOB
SCHEMBL29853102 0.81 PTPN1 (0.49) ALOX15SIRT1KMT2AMEN1MAOB
SCHEMBL2271953 0.79 SIRT1 (0.50) ALOX15SIRT1MCL1KMT2AMEN1
SCHEMBL9276705 0.73 ALOX15 (0.79) ALOX15MCL1KMT2AMAPTSMN1; SMN2
SCHEMBL19627181 0.73 ALOX15 (0.60) ALOX15KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL742927 0.70 PIM1 (0.55) ALOX15KMT2AMEN1MAOBMAPT
SCHEMBL27279621 0.70 MAOB (0.49) SIRT1KMT2AMAOBMAPTSMN1; SMN2
SCHEMBL9277642 0.70 ALOX15 (0.56) ALOX15KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL30595358 0.68 SHBG (0.54) ALOX15KMT2AMEN1MAPTALDH1A1
SCHEMBL28472333 0.68 SHBG (0.48) ALOX15MCL1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116253704-B Paeoveitol D derivative, pharmaceutical composition thereof, preparation method and application thereof 中国科学院昆明植物研究所 2024-11-26 CN claimed
CN-116253704-A Paeovaitol D derivative, pharmaceutical composition thereof, preparation method and application thereof 中国科学院昆明植物研究所 2023-06-13 CN claimed
CN-116253704-B Paeoveitol D derivative, pharmaceutical composition thereof, preparation method and application thereof 中国科学院昆明植物研究所 2024-11-26 CN disclosed
CN-116253704-B Paeoveitol D derivative, pharmaceutical composition thereof, preparation method and application thereof 中国科学院昆明植物研究所 2024-11-26 CN disclosed
CN-116253704-B Paeoveitol D derivative, pharmaceutical composition thereof, preparation method and application thereof 中国科学院昆明植物研究所 2024-11-26 CN disclosed
CN-116253704-A Paeovaitol D derivative, pharmaceutical composition thereof, preparation method and application thereof 中国科学院昆明植物研究所 2023-06-13 CN disclosed
CN-116253704-A Paeovaitol D derivative, pharmaceutical composition thereof, preparation method and application thereof 中国科学院昆明植物研究所 2023-06-13 CN disclosed
CN-116253704-A Paeovaitol D derivative, pharmaceutical composition thereof, preparation method and application thereof 中国科学院昆明植物研究所 2023-06-13 CN disclosed