SCHEMBL7103224

SCHEMBL7103224

C[C@@]1(C2=CCCCC2)N=C(c2ccccc2)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 6/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
HCAR2 Q8TDS4 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.33
HCAR3 P49019 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
ELANE P08246 1/20 0.32
KDM4E B2RXH2 3/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
ALOX12 P18054 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7098894 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL7098919 0.74 ALDH1A1 (0.37) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL3384398 0.70 ALDH1A1 (0.46) ALDH1A1MAPTHPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL11729437 0.69 ALDH1A1 (0.45) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL24241764 0.67 MAPT (0.44) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6687129 0.66 ALDH1A1 (0.49) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL7214181 0.65 ALDH1A1 (0.42) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL24534438 0.65 ALDH1A1 (0.42) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL1843106 0.65 ALDH1A1 (0.45) ALDH1A1CYP3A4MAPTHPGDMEN1
SCHEMBL7102630 0.64 ALDH1A1 (0.42) ALDH1A1MAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977742-B1 THE PREPARATION OF ENANTIOMERICALLY ENRICHED OXAZOLONES AND ALPHA, ALPHA-DISUBSTITUTED AMINO ACIDS UNIV LELAND STANFORD JUNIOR (US) 2003-09-10 EP disclosed
EP-0977742-A1 THE PREPARATION OF ENANTIOMERICALLY ENRICHED OXAZOLONES AND ALPHA, ALPHA-DISUBSTITUTED AMINO ACIDS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-02-09 EP disclosed
WO-1998046578-A1 THE PREPARATION OF ENANTIOMERICALLY ENRICHED OXAZOLONES AND α,α-DISUBSTITUTED AMINO ACIDS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1998-10-22 WO disclosed