SCHEMBL29600459

SCHEMBL29600459

COc1c(C(=O)O)ccc2c1CCCC=C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 3/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
FABP4 P15090 2/20 0.31
RXRA P19793 2/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4D Q08499 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL29599524 0.81 HAAO (0.33) ALDH1A1HSD17B10KDM4EHPGDRXRA
SCHEMBL833488 0.75 TDP1 (0.45) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL5750222 0.70 RXRA (0.39) ALDH1A1HSD17B10KDM4EHPGDRXRA
SCHEMBL1505827 0.70 TDP1 (0.61) TDP1MAPTALDH1A1HSD17B10POLB
Hydrochloric Acid SCHEMBL2202243 0.68 TDP1 (0.59) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL6646160 0.66 TDP1 (0.52) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL9679999 0.65 TDP1 (0.55) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL20380259 0.65 POLL (0.41) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL6772585 0.65 TDP1 (0.41) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL1919502 0.64 TDP1 (0.50) TDP1MAPTALDH1A1HSD17B10POLB

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
EP-4228758-A1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Sanofi (FR) 2023-08-23 EP disclosed
WO-2022084280-A1 SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI (FR) 2022-04-28 WO disclosed