SCHEMBL9548302

SCHEMBL9548302

CC(C(=O)O)c1cc(CN(C)C)on1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
ACHE P22303 2/20 0.34
VHL P40337 1/20 0.34
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
RAB9A P51151 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ATM Q13315 1/20 0.32
NPC1 O15118 1/20 0.31
MAPK1 P28482 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
Trimethylammonium SCHEMBL27360866 0.83 NOTUM (0.37) EPHX2ALDH1A1LMNAVHLS1PR1
SCHEMBL27348675 0.81 NOTUM (0.40) EPHX2ALDH1A1LMNAVHLRAB9A
SCHEMBL9548280 0.81 NOTUM (0.40) EPHX2ALDH1A1LMNAVHLRAB9A
SCHEMBL9548269 0.76 POLB (0.49) EPHX2LMNARAB9AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL9548357 0.72 LMNA (0.47) ALDH1A1LMNA
SCHEMBL9548380 0.72 SMN1; SMN2 (0.46) EPHX2LMNARAB9ASMN1; SMN2ATM
SCHEMBL18099930 0.70 SMN1; SMN2 (0.34) ALDH1A1LMNARAB9AHPGDSMN1; SMN2
SCHEMBL9548297 0.69 PPARA (0.52) EPHX2ALDH1A1LMNAS1PR1S1PR3
SCHEMBL9232450 0.69 ALDH1A1 (0.40) ALDH1A1LMNAACHEMAPK1
SCHEMBL6402508 0.67 EPHX2 (0.46) EPHX2ALDH1A1LMNAS1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5273989-A 3,5-disubstituted 2-isoxazolines and isoxazoles, agents containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-28 US claimed
CN-1055537-A 3, two replacement-2-different  azoles alkane of 5-and different  azoles, its preparation method contain the preparation and the application thereof of this composition HOECHST AG (DE) 1991-10-23 CN claimed
US-5273989-A 3,5-disubstituted 2-isoxazolines and isoxazoles, agents containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
CN-1055537-A 3, two replacement-2-different  azoles alkane of 5-and different  azoles, its preparation method contain the preparation and the application thereof of this composition HOECHST AG (DE) 1991-10-23 CN disclosed