SCHEMBL30993669

SCHEMBL30993669

Cc1c(C(=O)O)ccc(F)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPRS1 P07814 1/20 0.41
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
CLCN2 P51788 1/20 0.39
ALB P02768 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TSHR P16473 3/20 0.37
NOTUM Q6P988 1/20 0.37
HAAO P46952 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL4495727 1.00 EPRS1 (0.41) EPRS1CYP1A2ADRA2ACLCN2ALB
SCHEMBL852651 0.84 EPRS1 (0.44) EPRS1CYP1A2ADRA2ACLCN2ALB
SCHEMBL31094955 0.81 CYP1A2 (0.44) CYP1A2ALBCES2CES1TSHR
SCHEMBL14472134 0.81 CYP1A2 (0.44) EPRS1CYP1A2ADRA2ACLCN2ALB
SCHEMBL9277089 0.79 NPC1 (0.42) CES2CES1TSHRCASP1SMN1; SMN2
SCHEMBL286718 0.79 HAAO (0.42) CYP1A2RXFP1TSHRNOTUMHAAO
SCHEMBL29975434 0.79 CES2 (0.45) CYP1A2ALBCES2CES1TSHR
SCHEMBL107175 0.79 CES2 (0.50) EPRS1CYP1A2ADRA2ACLCN2ALB
SCHEMBL29465861 0.79 CES2 (0.50) EPRS1CYP1A2ADRA2ACLCN2ALB
SCHEMBL3980826 0.79 CYP1A2 (0.42) EPRS1CYP1A2RXFP1TSHRHAAO

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-2024130095-A9 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-08-02 WO disclosed
WO-2024130095-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-20 WO disclosed