SCHEMBL8896632

SCHEMBL8896632

CC1=C(C(=O)O)C(O)(c2ccccc2[N+](=O)[O-])C(C(=O)O)=C(C)N1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.39
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAOB P27338 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL2944564 0.89 HSD17B10 (0.39) TSHRTDP1L3MBTL1HSD17B10MAPT
SCHEMBL2907995 0.84 ALDH1A1 (0.44) L3MBTL1MAPTKDM4EALDH1A1MEN1
SCHEMBL4755372 0.72 TSHR (0.39) TSHRTDP1L3MBTL1HSD17B10MAPT
SCHEMBL4880017 0.71 TSHR (0.38) TSHRTDP1L3MBTL1HSD17B10MAPT
SCHEMBL4608922 0.70 CYP2C19 (0.38) TSHRTDP1L3MBTL1HSD17B10KDM4E
SCHEMBL7382729 0.70 TSHR (0.37) TSHRTDP1L3MBTL1HSD17B10MAPT
SCHEMBL19040319 0.70 ALDH1A1 (0.48) TDP1HSD17B10MAPTALDH1A1MEN1
SCHEMBL9396727 0.65 KMT2A (0.40) TSHRTDP1HSD17B10ALDH1A1MEN1
Acetic Acid SCHEMBL27721273 0.65 HSD17B10 (0.58) TSHRTDP1L3MBTL1HSD17B10MAPT
SCHEMBL30937544 0.64 AKR1C1 (0.46) TSHRTDP1L3MBTL1HSD17B10MAPT

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