SCHEMBL31484809

SCHEMBL31484809

CC1CCOc2cc(C#Cc3ccccc3)cc(O)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.43
MAP3K14 Q99558 1/20 0.33
HNF4A P41235 1/20 0.33
APP P05067 1/20 0.32
FFAR1 O14842 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MTOR P42345 1/20 0.32
GRM4 Q14833 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CASP3 P42574 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
HSD17B1 P14061 1/20 0.31

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
SCHEMBL31484832 0.86 GRM5 (0.39) GRM5HNF4AAPPFFAR1NPC1
SCHEMBL31484824 0.77 GRM5 (0.38) GRM5
SCHEMBL9900378 0.71 MAP3K14 (0.53) MAP3K14LMNASMN1; SMN2
SCHEMBL27919669 0.66 MAP3K14 (0.46) MAP3K14NPC1RAB9AKDM4EMEN1
SCHEMBL18130077 0.65 APP (0.57) GRM5HNF4AAPPFFAR1NPC1
SCHEMBL31484839 0.63 GRM5 (0.34) GRM5GRM4
SCHEMBL24675181 0.62 DRD3 (0.43) MAP3K14KDM4ELMNAMAPT
SCHEMBL24675182 0.62 DRD3 (0.43) MAP3K14KDM4ELMNAMAPT
SCHEMBL4412680 0.61 AHR (0.53) GRM5HNF4AAPPFFAR1NPC1
SCHEMBL18130046 0.61 HNF4A (0.47) HNF4AAPPFFAR1NPC1RAB9A

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
WO-2025066915-A1 AHR MODULATOR AND USE THEREOF 德明药泰生物技术(深圳)有限公司 2025-04-03 WO disclosed
CN-119707643-A AhR regulator and application thereof 德明药泰生物技术(深圳)有限公司 2025-03-28 CN disclosed