SCHEMBL31484841

SCHEMBL31484841

Cc1ccccc1C#Cc1cc(O)c(C(C)C)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.47
FFAR4 Q5NUL3 4/20 0.47
CHRM2 P08172 1/20 0.38
S1PR1 P21453 1/20 0.38
FPR1 P21462 1/20 0.38
FPR3 P25089 1/20 0.38
GPR183 P32249 1/20 0.38
APLNR P35414 1/20 0.38
GPR65 Q8IYL9 1/20 0.38
AHR P35869 1/20 0.36
GRM5 P41594 2/20 0.34
GRM4 Q14833 3/20 0.34
TSHR P16473 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
BCL2L2 Q92843 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL31484817 0.83 FFAR1 (0.45) FFAR1FFAR4AHRGRM5GRM4
SCHEMBL31484821 0.82 FFAR1 (0.44) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL4412680 0.73 AHR (0.53) FFAR1AHRGRM5
SCHEMBL31484836 0.72 FFAR1 (0.44) FFAR1FFAR4AHRTHRATHRB
SCHEMBL27836393 0.71 FFAR1 (0.55) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL23310009 0.70 FFAR1 (0.48) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL31484834 0.69 LMNA (0.47) AHRTSHR
SCHEMBL3644208 0.68 TSHR (0.62) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL30666154 0.68 TSHR (0.62) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL24248982 0.67 SELL (0.48) AHRBCL2BCL2L1MCL1BCL2L2

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-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