SCHEMBL7102630

SCHEMBL7102630

CC1(C2C=CCCC2)N=C(c2ccccc2)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APOBEC3G Q9HC16 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 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
SCHEMBL7103220 1.00 ALDH1A1 (0.42) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL7103217 1.00 ALDH1A1 (0.42) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL7098891 0.82 ALDH1A1 (0.40) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL7145565 0.77 ALDH1A1 (0.38) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL7098911 0.72 MYC (0.43) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8031048 0.70 ALDH1A1 (0.40) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL3384398 0.68 ALDH1A1 (0.46) ALDH1A1HPGDMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL11729437 0.67 ALDH1A1 (0.45) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL24241764 0.66 MAPT (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL14992570 0.64 CNR1 (0.34) ALDH1A1HPGDMEN1KMT2AAPOBEC3G

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
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
US-6130337-A ALKYLATING AN ALLYLIC ELECTROPHILE WITH A 5-OXAZOLONE IN PRESENCE OF A BASE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-10-10 US 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