SCHEMBL7919563

SCHEMBL7919563

C=CCOC(=O)CN(CC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
CA1 P00915 2/20 0.30

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
SCHEMBL9683567 0.79 TSHR (0.50) TSHRTDP1CYP3A4SMN1; SMN2PKM
SCHEMBL251333 0.79 TSHR (0.48) TSHRTDP1CYP3A4SMN1; SMN2PKM
SCHEMBL28189920 0.75 TSHR (0.46) TSHRTDP1CYP3A4SMN1; SMN2PKM
SCHEMBL9486295 0.75 TSHR (0.44) TSHRTDP1CYP3A4SMN1; SMN2NPSR1
SCHEMBL16264827 0.74 TSHR (0.47) TSHRTDP1CYP3A4SMN1; SMN2PKM
SCHEMBL1276382 0.74 TSHR (0.41) TSHRTDP1CYP3A4SMN1; SMN2PKM
SCHEMBL170670 0.72 TSHR (0.46) TSHRTDP1CYP3A4SMN1; SMN2PKM
SCHEMBL194711 0.72
SCHEMBL3840012 0.72
SCHEMBL16264823 0.72 TSHR (0.42) TSHRTDP1CYP3A4SMN1; SMN2PKM

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
US-6218347-B1 LATHERING, TEXTURE, FEEL CHARACTERISTICS AND AESTHETICS THE ANDREW JERGENS COMPANY 2001-04-17 US disclosed
US-6074997-A NON SOAP THE ANDREW JERGENS COMPANY (US) 2000-06-13 US disclosed
US-5756438-A NON-SOAP CLEANSING BAR COMPRISING ANIONIC SURFACTANT, FILLER, AND WAXY BINDER; WEAR RESISTANCE THE ANDREW JERGENS COMPANY (US) 1998-05-26 US disclosed