SCHEMBL30334792

SCHEMBL30334792

CCCCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM1A O60341 1/20 0.46
NCEH1 Q6PIU2 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LTA4H P09960 1/20 0.44
MAPT P10636 1/20 0.44
AKR1C2 P52895 1/20 0.44

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
SCHEMBL1608519 1.00 CA12 (0.50) CA12CA1CA2CA3CA4
SCHEMBL3731301 0.96 NR5A1 (0.49) CA12CA1CA2CA3CA4
SCHEMBL9699146 0.95 NR5A1 (0.51) CA12CA1CA2CA3CA4
SCHEMBL4748690 0.95 NR5A1 (0.51) CA12CA1CA2CA3CA4
SCHEMBL31498425 0.95 NR5A1 (0.51) CA12CA1CA2CA3CA4
SCHEMBL4745433 0.95 NR5A1 (0.51) CA12CA1CA2CA3CA4
SCHEMBL7210942 0.95 NR5A1 (0.51) CA12CA1CA2CA3CA4
SCHEMBL4749149 0.95 NR5A1 (0.51) CA12CA1CA2CA3CA4
SCHEMBL4748293 0.95 NR5A1 (0.51) CA12CA1CA2CA3CA4
SCHEMBL4057003 0.92 CA12 (0.50) CA12CA1CA2CA6CA7

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
EP-4175658-A1 INHIBITORS OF YAP/TAZ-TEAD ONCOPROTEINS, SYNTHESIS AND USE THEREOF Bridgene Biosciences, Inc. (US) 2023-05-10 EP disclosed