SCHEMBL7783393

SCHEMBL7783393

C[C@H](NC(=O)OCc1ccccc1)C(O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.56
CTSL P07711 2/20 0.55
CTSS P25774 2/20 0.55
CYP3A4 P08684 10/20 0.55
TSHR P16473 8/20 0.55
ALDH1A1 P00352 6/20 0.55
CYP2C9 P11712 5/20 0.55
CYP2C19 P33261 4/20 0.55
LMNA P02545 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 4/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CTSK P43235 2/20 0.53
CASP1 P29466 1/20 0.53
CTRB1 P17538 2/20 0.52
ELANE P08246 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL1643990 0.91 TP53 (0.61) ATMCTSLCTSSCYP3A4TSHR
SCHEMBL3484836 0.91 TP53 (0.61) ATMCTSLCTSSCYP3A4TSHR
SCHEMBL1643992 0.91 TP53 (0.61) ATMCTSLCTSSCYP3A4TSHR
SCHEMBL1643991 0.91 TP53 (0.61) ATMCTSLCTSSCYP3A4TSHR
SCHEMBL1643989 0.91 TP53 (0.61) ATMCTSLCTSSCYP3A4TSHR
SCHEMBL5325915 0.90 ACACB (0.53) CTSSMEN1KMT2AMAPK1CTSK
SCHEMBL5325912 0.90 ACACB (0.53) CTSSMEN1KMT2AMAPK1CTSK
SCHEMBL5898188 0.90 ACACB (0.53) CTSSMEN1KMT2AMAPK1CTSK
SCHEMBL11982585 0.87 ATM (0.49) ATMCTSLCTSSCYP3A4TSHR
SCHEMBL1643734 0.87 ATM (0.49) ATMCTSLCTSSCYP3A4TSHR

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
EP-0815074-B1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME SK CORP (KR) 2001-10-04 EP claimed