SCHEMBL7057334

SCHEMBL7057334

CCC(CC)C(=O)OC(=O)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.42
KDM6B O15054 1/20 0.42
KDM5C P41229 1/20 0.42
PHF8 Q9UPP1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
ALDH1A1 P00352 2/20 0.39
LMNA P02545 3/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
FFAR3 O14843 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
SLC15A2 Q16348 1/20 0.36
TSHR P16473 3/20 0.35
USP2 O75604 1/20 0.35
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
PAM P19021 2/20 0.33

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
SCHEMBL7057332 0.91 ALDH1A1 (0.46) ALDH1A1TSHRUSP2CA2CA1
SCHEMBL11314406 0.89 ALDH1A1 (0.39) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL9663598 0.88 TSHR (0.50) ALDH1A1LMNATSHRPAMAKR1B1
SCHEMBL9663594 0.83 TSHR (0.42) ALDH1A1LMNATSHRCA2CA1
SCHEMBL247702 0.83 ALDH1A1 (0.61) ALDH1A1LMNAFFAR3HDAC3HDAC1
SCHEMBL27994610 0.81 CA2 (0.39) EGLN1ALDH1A1FFAR3TSHRUSP2
SCHEMBL16033393 0.80 EGLN1 (0.46) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL4631695 0.80 CA2 (0.40) ALDH1A1LMNAFFAR3TSHRUSP2
SCHEMBL5799807 0.78 EGLN1 (0.45) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL11662121 0.78 MGAM (0.46) ALDH1A1TSHRUSP2CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4578861-A1 NOVEL TRICYCLIC HETEROCYCLIC CARBALDEHYDE COMPOUND AND PHARMACEUTICAL COMPOSITION, CONTAINING SAME, FOR IRE1ALPHA INHIBITION Hanmi Pharm. Co., Ltd. (KR) 2025-07-02 EP disclosed
WO-2003029823-A1 COMBINATORIAL PROTEASE SUBSTRATE LIBRARIES IRM LLC (BM) 2003-04-10 WO disclosed
US-20030059847-A1 Combinatorial protease substrate libraries IRM, LLC (BM) 2003-03-27 US disclosed
US-4956480-A 7-amino-4-methyl-coumarin-3-carboxyalkyl derivates and fluorescent conjugates thereof BIOCARB AB (SE) 1990-09-11 US disclosed
EP-0277139-B1 7-AMINO-4-METHYL-COUMARIN-3-CARBOXYALKYL DERIVATIVES AND FLUORESCENT CONJUGATES THEREOF BIOCARB AB (SE) 1990-08-08 EP disclosed