SCHEMBL30620187

SCHEMBL30620187

O=C1OCCCC1C(=O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MCL1 Q07820 1/20 0.39
PHGDH O43175 1/20 0.39
HPGD P15428 1/20 0.39
MGLL Q99685 2/20 0.38
HSD11B1 P28845 1/20 0.38
PTPRF P10586 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
MAPK1 P28482 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
SCHEMBL29287392 0.83 MCL1 (0.57) POLBALOX12HSD17B10NPC1MAPT
SCHEMBL31236155 0.78 MCL1 (0.60) POLBHSD17B10NPC1MAPTRAB9A
SCHEMBL15786537 0.72 LMNA (0.38) POLBTSHRNPC1MAPTTAAR1
SCHEMBL9016165 0.72 KDM4E (0.50) KDM4ENPC1MAPTRAB9AHDAC1
SCHEMBL8159995 0.72 MCL1 (0.51) POLBKDM4EHSD17B10MAPTMCL1
SCHEMBL9016167 0.71 KDM4E (0.49) KDM4ENPC1MAPTRAB9AHDAC1
SCHEMBL9016170 0.71 MEN1 (0.49) KDM4ENPC1MAPTRAB9AHDAC1
SCHEMBL4770419 0.71 SRD5A2 (0.59) POLBRAB9ACES2CES1HPGD
SCHEMBL10112217 0.71 MGLL (0.55) POLBNPC1RAB9ACES2CES1
SCHEMBL14335831 0.70 MGLL (0.51) POLBKDM4ETSHRALOX12HSD17B10

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-117004000-A Polyester with main chain containing diazo group and preparation, post-conversion and degradation methods thereof 北京大学 2023-11-07 CN claimed
CN-117004000-A Polyester with main chain containing diazo group and preparation, post-conversion and degradation methods thereof 北京大学 2023-11-07 CN disclosed