SCHEMBL30337657

SCHEMBL30337657

COC(=O)C1CC2(C1)CC(c1c(C(C)C)n(-c3ccc(F)c(C)c3)c3ccc(OCc4ccccc4)cc13)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 5/20 0.39
EDNRB P24530 2/20 0.39
EDNRA P25101 2/20 0.39
HTR3A P46098 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
ADAM17 P78536 1/20 0.33

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
SCHEMBL23886840 1.00 S1PR3 (0.39) S1PR3EDNRBEDNRAHTR3AS1PR1
SCHEMBL30176297 1.00 S1PR3 (0.39) S1PR3EDNRBEDNRAHTR3AS1PR1
SCHEMBL30176318 0.91 S1PR3 (0.41) S1PR3EDNRBEDNRAHTR3AS1PR1
SCHEMBL23886953 0.91 S1PR3 (0.41) S1PR3EDNRBEDNRAHTR3AS1PR1
SCHEMBL23898572 0.90 S1PR3 (0.40) S1PR3EDNRBEDNRAHTR3AS1PR1
SCHEMBL23886655 0.89 S1PR3 (0.38) S1PR3EDNRBEDNRAHTR3AS1PR1
SCHEMBL30337964 0.89 S1PR3 (0.38) S1PR3EDNRBEDNRAHTR3AS1PR1
SCHEMBL30176369 0.89 S1PR3 (0.38) S1PR3EDNRBEDNRAHTR3AS1PR1
SCHEMBL30176268 0.88 EDNRB (0.39) S1PR3EDNRBEDNRAHTR3AS1PR1
SCHEMBL26603170 0.88 EDNRB (0.39) S1PR3EDNRBEDNRAHTR3AS1PR1

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-115916749-A Substituted 5-hydroxyindole compounds as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2023-04-04 CN disclosed