SCHEMBL24674865

SCHEMBL24674865

CNCc1cccc(OCCOCCOCCOCCC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ NOS1 P29475 2/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL24675197 1.00 KDM4E (0.43) KDM4ENOS1NOS3ROCK2CYP3A4
SCHEMBL24675190 0.86 KDM4E (0.42) KDM4ELMNAMAPT
SCHEMBL24675517 0.84 KDM4E (0.47) KDM4ELMNASMN1; SMN2
SCHEMBL24675890 0.84 GLS (0.45) CYP3A4
SCHEMBL24675891 0.83 CNR1 (0.40) KDM4ECYP2D6
SCHEMBL2786701 0.82 LTA4H (0.50) —
SCHEMBL15110899 0.80 ALDH1A1 (0.46) KDM4ECYP3A4CYP2D6CYP2C9MAPT
SCHEMBL16923976 0.80 ALDH1A1 (0.46) KDM4ECYP3A4CYP2D6CYP2C9MAPT
SCHEMBL15126228 0.80 MAOB (0.48) KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL30856531 0.80 KMT2A (0.57) KDM4ECYP2C9

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
Send feedback