SCHEMBL26816636

SCHEMBL26816636

CC1c2ccc(Br)cc2CC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43
KDM1A O60341 2/20 0.41
CAMK2A Q9UQM7 1/20 0.40
ADRA2A P08913 2/20 0.38
PNMT P11086 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GRK2 P25098 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SRD5A1 P18405 2/20 0.37
SRD5A2 P31213 1/20 0.37
OPRM1 P35372 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
HDAC3 O15379 1/20 0.34

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
SCHEMBL26816647 1.00 EDNRB (0.43) EDNRBEDNRAKDM1ACAMK2AADRA2A
SCHEMBL26817317 1.00 EDNRB (0.43) EDNRBEDNRAKDM1ACAMK2AADRA2A
SCHEMBL26656414 0.87 OPRM1 (0.41) EDNRBEDNRACAMK2AADRA2APNMT
SCHEMBL10875369 0.81 ALDH1A1 (0.42) SRD5A1SRD5A2HTR2AHTR2CHTR2B
SCHEMBL26816616 0.80 TDP2 (0.43) L3MBTL1POLBALDH1A1MEN1KMT2A
SCHEMBL4426521 0.76 HDAC3 (0.49) EDNRBEDNRAOPRM1HDAC3HDAC4
SCHEMBL4426518 0.76 HDAC3 (0.49) EDNRBEDNRAOPRM1HDAC3HDAC4
SCHEMBL4426516 0.76 HDAC3 (0.49) EDNRBEDNRAOPRM1HDAC3HDAC4
SCHEMBL11370877 0.76 ATM (0.47) TDP1L3MBTL1SRD5A2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL9527737 0.75 HDAC3 (0.48) KDM1AOPRM1HDAC3HDAC4HDAC1

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-2023225162-A1 ANTIVIRAL INDOLINYL COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-11-23 WO disclosed