SCHEMBL30688802

SCHEMBL30688802

O=C(O)c1cc(Br)cc(C(F)(F)c2cc(Br)cc(C(F)(F)F)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.57
CES2 O00748 1/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.43
P2RY14 Q15391 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
SRD5A2 P31213 2/20 0.41
DDR1 Q08345 2/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
ACP1 P24666 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GPR35 Q9HC97 1/20 0.39
P2RX1 P51575 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL22400366 1.00 NOTUM (0.57) NOTUMCES2RXRARXRBRXRG
SCHEMBL494019 0.93 NOTUM (0.64) NOTUMCES2RXRARXRBRXRG
SCHEMBL28675044 0.87 MRGPRX4 (0.44) NOTUMCES2RXRARXRBRXRG
SCHEMBL25677271 0.86 NOTUM (0.57) NOTUMCES2RXRARXRBRXRG
SCHEMBL26334408 0.83 NOTUM (0.46) NOTUMRXRARXRBTAS2R14P2RY14
SCHEMBL503980 0.83 CES2 (0.70) CES2RXRARXRBRXRGP2RY14
SCHEMBL25186591 0.82 PPARA (0.43) NOTUMRXRARXRBRXRGTAS2R14
SCHEMBL30043720 0.82 PPARA (0.43) NOTUMRXRARXRBRXRGTAS2R14
Hydrochloric Acid SCHEMBL7485970 0.81 CES2 (0.67) CES2RXRARXRBRXRGP2RY14
SCHEMBL28119413 0.81 CES2 (0.67) CES2RXRARXRBRXRGP2RY14

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
CN-117624207-A Glucose-sensitive albumin binding derivatives 诺和诺德股份有限公司 2024-03-01 CN disclosed
CN-111315751-B Glucose-sensitive albumin binding derivatives 诺和诺德股份有限公司 2023-12-12 CN disclosed