SCHEMBL29637404

SCHEMBL29637404

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.41
KDM6B O15054 2/20 0.41
KDM5C P41229 2/20 0.41
PHF8 Q9UPP1 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
LMNA P02545 4/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
SLC15A2 Q16348 1/20 0.34
TSHR P16473 2/20 0.33
VCAM1 P19320 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 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
SCHEMBL29637409 0.89 TSHR (0.48) LMNATSHRVCAM1CYP1A2MAPK1
SCHEMBL6441150 0.78 EGLN1 (0.42) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL14661595 0.77 EGLN1 (0.45) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL15270647 0.76 LMNA (0.45) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL13010227 0.74 EGLN1 (0.39) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL18056180 0.74 EGLN1 (0.39) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL4335657 0.73 LMNA (0.32) LMNATSHR
SCHEMBL7439619 0.72 LMNA (0.41) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL10476496 0.72 EGLN1 (0.37) EGLN1KDM6BKDM5CPHF8KDM2A
SCHEMBL18056178 0.72 EGLN1 (0.37) EGLN1KDM6BKDM5CPHF8KDM2A

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
CN-119033775-A 2-Arylbenzimidazoles as PPARGC1A activators for the treatment of neurodegenerative diseases 小利兰·斯坦福大学董事会 2024-11-29 CN disclosed
CN-114423740-A Pyrazole derivatives for controlling arthropods 拜耳动物保健有限责任公司 2022-04-29 CN disclosed