SCHEMBL28613409

SCHEMBL28613409

COC(=O)c1cc(OC)c(Br)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA3 P07451 1/20 0.44
PKM P14618 1/20 0.44
CA5A P35218 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
TPMT P51580 2/20 0.44
HPGD P15428 2/20 0.44
CNR2 P34972 1/20 0.43

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
SCHEMBL30808280 0.90 MAPT (0.47) LCKFYNKDM4EALDH1A1MAPT
SCHEMBL21821414 0.90 MAPT (0.47) LCKFYNKDM4EALDH1A1MAPT
SCHEMBL21821412 0.88 CA12 (0.58) LCKFYNKDM4EALDH1A1CA12
SCHEMBL30808277 0.88 CA12 (0.58) LCKFYNKDM4EALDH1A1CA12
SCHEMBL731344 0.86 MAPT (0.53) KDM4EALDH1A1MAPTCA12CA1
SCHEMBL28609486 0.81 LMNA (0.56) LCKFYNKDM4EALDH1A1MAPT
SCHEMBL29093744 0.80 KDM4E (0.51) LCKFYNKDM4EALDH1A1MAPT
SCHEMBL28617598 0.80 NOTUM (0.37) LCKFYNKDM4EALDH1A1MAPT
SCHEMBL310059 0.79 MAPT (0.60) LCKFYNKDM4EALDH1A1MAPT
SCHEMBL731509 0.79 KDM4E (0.58) KDM4EALDH1A1MAPTCA12CA1

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-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN disclosed
CN-113039182-A Inhibitors of YAP/TAZ-TEAD interaction and their use in cancer treatment 伊文蒂瓦公司 2021-06-25 CN disclosed