SCHEMBL30735341

SCHEMBL30735341

CCCC(O)c1cccc(Br)c1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HTT P42858 1/20 0.31
AOC3 Q16853 1/20 0.31
LMNA P02545 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PPARG P37231 2/20 0.30
FFAR1 O14842 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
COMT P21964 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL4834945 0.91 KDM4E (0.35) ALDH1A1PPARGMEN1KMT2A
SCHEMBL6684572 0.83 HTT (0.40) CYP11B1CYP11B2HTTAOC3LMNA
SCHEMBL6741649 0.83 HTT (0.40) CYP11B1CYP11B2HTTAOC3LMNA
SCHEMBL6055262 0.81 TRPA1 (0.39) CYP11B1CYP11B2AOC3LMNAALDH1A1
SCHEMBL15353499 0.81 PRNP (0.36) CYP11B1CYP11B2AOC3LMNAALDH1A1
SCHEMBL25324572 0.79 CNR2 (0.35) CYP11B1CYP11B2ALDH1A1
SCHEMBL29428628 0.79 CNR2 (0.35) CYP11B1CYP11B2ALDH1A1
SCHEMBL6745332 0.79 MAPK1 (0.33) CYP11B1CYP11B2AOC3LMNATAS1R3
SCHEMBL6742914 0.79 MAPK1 (0.33) CYP11B1CYP11B2AOC3LMNATAS1R3
SCHEMBL237043 0.76

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-4519259-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. (US) 2025-03-12 EP disclosed
WO-2023215482-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. (US) 2023-11-09 WO disclosed