SCHEMBL24437742

SCHEMBL24437742

CC(C)CCOCCNC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ FOXM1 Q08050 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ RAD52 P43351 1/20 0.34

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
SCHEMBL24437971 0.95 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL21842123 0.82 SMN1; SMN2 (0.54) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL21842364 0.82 SMN1; SMN2 (0.54) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL21842124 0.82 SMN1; SMN2 (0.54) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL7777018 0.81 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL3679901 0.81 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL24437848 0.79 CYP1A2 (0.57) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL7776906 0.78 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL22759948 0.78 CYP1A2 (0.56) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL18677293 0.78 SMN1; SMN2 (0.48) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022101453-A1 COMPOUNDS AND METHODS FOR TREATING A CYTOKINE-MEDIATED DISEASE Conservatoire National des Arts et Métiers (FR) 2022-05-19 — — WO disclosed
Send feedback