SCHEMBL8895646

SCHEMBL8895646

O=C(CC(O)C(=O)NCCO)NCCO

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 3/20 0.58
USP2 O75604 2/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 1/20 0.58
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
PTGS1 P23219 1/20 0.35
KCNH2 Q12809 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 3/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
FAAH O00519 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A2 O94788 1/20 0.31
ALDH2 P05091 1/20 0.31
ALDH1A3 P47895 1/20 0.31

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
SCHEMBL20194389 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AUSP2MEN1MAPT
SCHEMBL10631510 0.81 MCL1 (0.44) ALDH1A1KMT2AUSP2MEN1MAPT
SCHEMBL10476199 0.79 USP2 (0.65) ALDH1A1KMT2AUSP2MEN1MAPT
SCHEMBL7049109 0.78 CASP2 (0.46) KMT2AUSP2MEN1TP53SMN1; SMN2
SCHEMBL3831548 0.76 ALDH1A1 (0.48) ALDH1A1KMT2AUSP2MEN1MAPT
SCHEMBL1399147 0.76 USP2 (0.60) ALDH1A1KMT2AUSP2MEN1MAPT
SCHEMBL9188242 0.75 CASP2 (0.56) FAAH
SCHEMBL22693786 0.74 ALDH1A1 (0.46) ALDH1A1KMT2AUSP2MEN1MAPT
SCHEMBL8895535 0.74 USP2 (1.00) ALDH1A1KMT2AUSP2MEN1MAPT
SCHEMBL3871043 0.74 USP2 (1.00) ALDH1A1KMT2AUSP2MEN1MAPT

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
US-5618842-A TREATING DERMATOLOGIC, OPTHALMIC, MUCOSAL, ARTICULAR, CONNECTIVE TISSUE, NERVOUS SYSTEM, ALLERGIC, INFLAMMATORY PATHOLOGIES LIFEGROUP S.P.A. (IT) 1997-04-08 US disclosed