SCHEMBL24675591

SCHEMBL24675591

COC(=O)CCCOCCOCCOCCCCCCOc1cccc([C@H](C)N)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CYSLTR2 Q9NS75 3/20 0.44
CYSLTR1 Q9Y271 3/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
GAA P10253 1/20 0.40
SMPD1 P17405 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL25828664 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4ELMNACYSLTR2
SCHEMBL24675246 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4ELMNACYSLTR2
SCHEMBL24675494 0.98 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2KDM4ELMNACYSLTR2
SCHEMBL24675493 0.98 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2KDM4ELMNACYSLTR2
SCHEMBL24675778 0.98 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2KDM4ELMNACYSLTR2
SCHEMBL24675595 0.95 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4ELMNACYSLTR2
SCHEMBL24675471 0.88 KDM4E (0.45) ALDH1A1SMN1; SMN2KDM4ELMNACYSLTR2
SCHEMBL24675470 0.88 KDM4E (0.45) ALDH1A1SMN1; SMN2KDM4ELMNACYSLTR2
SCHEMBL24675798 0.88 KDM4E (0.45) ALDH1A1SMN1; SMN2KDM4ELMNACYSLTR2
SCHEMBL24675854 0.88 KDM4E (0.46) ALDH1A1SMN1; SMN2KDM4ELMNACYSLTR2

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
WO-2022159688-A9 DEGRADERS OF GRK2 AND USES THEREOF SONATA THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed
WO-2022159688-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2022-07-28 WO disclosed