SCHEMBL30003496

SCHEMBL30003496

COc1c(Br)ccc(C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PTPN1 P18031 2/20 0.42
TPMT P51580 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C9 P11712 2/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL1648260 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EPTPN1TPMT
SCHEMBL31643643 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EPTPN1CA12
SCHEMBL30004188 0.84 MAPT (0.43) ALDH1A1KDM4EPTPN1CA12CA1
SCHEMBL434100 0.84 MAPT (0.43) ALDH1A1KDM4EPTPN1CA12CA1
SCHEMBL24165077 0.81 HSD17B10 (0.51) ALDH1A1HSD17B10KDM4EPTPN1TPMT
SCHEMBL1323122 0.81 CA12 (0.55) ALDH1A1HSD17B10KDM4EPTPN1TPMT
SCHEMBL29693892 0.80 TDP1 (0.39) ALDH1A1HSD17B10KDM4ECA12CA1
SCHEMBL1085313 0.80 TDP1 (0.39) ALDH1A1HSD17B10KDM4ECA12CA1
SCHEMBL14720094 0.80 HSD17B10 (0.44) ALDH1A1HSD17B10KDM4EPTPN1TPMT
SCHEMBL31522091 0.80 NR1H4 (0.38) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323350-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2024-02-21 EP disclosed
WO-2023069720-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND METHODS OF USE THEREOF MONTE ROSA THERAPEUTICS, INC. (US) 2023-04-27 WO disclosed
WO-2022219407-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-10-20 WO disclosed