SCHEMBL29921189

SCHEMBL29921189

COC(=O)C(O)(Cc1c(OCc2ccccc2)ccc(C(F)(F)F)c1Br)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MRGPRX4 Q96LA9 6/20 0.40
PTGER1 P34995 1/20 0.40
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SLC26A3 P40879 1/20 0.39
PTPN1 P18031 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PPIA P62937 2/20 0.38
LRRK2 Q5S007 2/20 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
SCHEMBL23834851 1.00 RXRA (0.42) RXRARXRBRXRGMEN1KMT2A
SCHEMBL29921033 0.86 CHRM4 (0.41) RXRARXRBRXRGMEN1KMT2A
SCHEMBL23835380 0.86 CHRM4 (0.41) RXRARXRBRXRGMEN1KMT2A
SCHEMBL23835024 0.82 KCNN4 (0.40) MEN1KMT2APTPN1
SCHEMBL29921160 0.82 KCNN4 (0.40) MEN1KMT2APTPN1
SCHEMBL23835548 0.76 RXRA (0.47) RXRARXRBRXRGMRGPRX4PTGER1
SCHEMBL29921217 0.76 RXRA (0.47) RXRARXRBRXRGMRGPRX4PTGER1
SCHEMBL29921162 0.76 RXRA (0.47) RXRARXRBRXRGMRGPRX4PTGER1
SCHEMBL23834854 0.76 RXRA (0.47) RXRARXRBRXRGMRGPRX4PTGER1
SCHEMBL10881439 0.72 KCNN4 (0.56) MEN1KMT2APTPN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119241481-A Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors 诺华股份有限公司 2025-01-03 CN disclosed
CN-115298170-B Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors 诺华股份有限公司 2024-09-27 CN disclosed
EP-4121421-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS Novartis AG (CH) 2023-01-25 EP disclosed
CN-115298170-A Biaryl derivatives as inhibitors of YAP/TAZ-TEAD protein-protein interactions 诺华股份有限公司 2022-11-04 CN disclosed