SCHEMBL7203426

SCHEMBL7203426

Cc1[nH]c(=O)c(O)c2c1CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
BRD4 O60885 8/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
RAB9A P51151 2/20 0.37
JAK2 O60674 1/20 0.37
RECQL P46063 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
PARP1 P09874 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
SCHEMBL19323971 0.74 KDM4E (0.48) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL7265062 0.71 LMNA (0.54) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL16935394 0.69 ALDH1A1 (0.45) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL19323689 0.69 KDM4E (0.50) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL9453164 0.68 ALOX15 (0.43) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL16740898 0.67 KDM4E (0.50) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL7271706 0.67 ALDH1A1 (1.00) ALDH1A1KDM4EKMT2ACYP1A2CYP2C19
SCHEMBL8740908 0.67 PTK2 (0.43) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL7265243 0.66 ALDH1A1 (0.49) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL16935203 0.66 ALDH1A1 (0.96) ALDH1A1KDM4EKMT2ACYP1A2CYP2C19

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-2003084538-A1 METHODS FOR TREATING ROSACEA WITH PYRIDONES MEDICIS PHARMACEUTICAL CORPORATION (US) 2003-10-16 WO disclosed