SCHEMBL15080987

SCHEMBL15080987

COC(=O)[C@@H](N)Cc1ccc(C(C)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
ACACB O00763 1/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
MEN1 O00255 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
LNPEP Q9UIQ6 4/20 0.44
ERAP2 Q6P179 3/20 0.44
TPH1 P17752 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
SLC7A5 Q01650 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL7333309 1.00 KMT2A (0.50) KMT2AALDH1A1ACACBESR1ESR2
Hydrochloric Acid SCHEMBL30947772 0.98 ALDH1A1 (0.52) KMT2AALDH1A1ACACBESR1ESR2
Alanine SCHEMBL28665062 0.91 ALDH1A1 (0.47) KMT2AALDH1A1ACACBMEN1LMNA
SCHEMBL18067861 0.88 ALDH1A1 (0.49) ALDH1A1ESR1ESR2LNPEPERAP2
SCHEMBL15019650 0.88 LOXL2 (0.59) ALDH1A1HPGDSMN1; SMN2LNPEPERAP2
SCHEMBL2059172 0.88 ANPEP (0.54) KMT2AALDH1A1ACACBESR1ESR2
SCHEMBL2059174 0.88 ANPEP (0.54) KMT2AALDH1A1ACACBESR1ESR2
SCHEMBL15019652 0.88 LOXL2 (0.59) ALDH1A1HPGDSMN1; SMN2LNPEPERAP2
SCHEMBL15080943 0.87 ALDH1A1 (0.48) ALDH1A1ESR1ESR2LNPEPERAP2
Acetic Acid SCHEMBL7292963 0.87 ANPEP (0.53) KMT2AALDH1A1ACACBESR1ESR2

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-8476411-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-07-02 US disclosed