SCHEMBL21597974

SCHEMBL21597974

COc1cccc(OC(=O)[C@]2(C)OCO[C@@]2(C)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
KMT2A Q03164 1/20 0.39
NLRP3 Q96P20 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 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
SCHEMBL21597978 0.78 POLB (0.40) ALDH1A1SMN1; SMN2HTTLMNATSHR
SCHEMBL361383 0.74 LMNA (0.66) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL2841534 0.73 CES2 (0.45) ALDH1A1HTTLMNAHPGDTSHR
SCHEMBL8218800 0.72 LMNA (0.63) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL6449983 0.72 LMNA (0.42) RAB9AALDH1A1SMN1; SMN2TP53HTT
SCHEMBL6449984 0.72 LMNA (0.42) RAB9AALDH1A1SMN1; SMN2TP53HTT
SCHEMBL8585753 0.71 ALDH1A1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL9671485 0.70 LMNA (0.59) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL26009141 0.70 MTNR1B (0.59) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL27461061 0.69 HCAR2 (0.51) NPC1RAB9AALDH1A1TP53LMNA

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
WO-2019243576-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2019-12-26 WO disclosed