SCHEMBL3046853

SCHEMBL3046853

CCCOC(=O)C(Cc1ccc(O)cc1)NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.52
GRIA1 P42261 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.46
ESR1 P03372 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
KDR P35968 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
MDM4 O15151 1/20 0.46
MDM2 Q00987 1/20 0.46
ESR2 Q92731 1/20 0.46
ACACB O00763 2/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
FOLH1 Q04609 1/20 0.44
MME P08473 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
SCHEMBL3046854 1.00 TACR1 (0.52) TACR1GRIA1KMT2ANPSR1TSHR
SCHEMBL3055256 0.92 TACR1 (0.50) TACR1GRIA1KMT2ANPSR1TSHR
SCHEMBL3055258 0.92 TACR1 (0.50) TACR1GRIA1KMT2ANPSR1TSHR
SCHEMBL3055186 0.91 CNR1 (0.50) TACR1GRIA1KMT2ANPSR1TSHR
SCHEMBL3055185 0.91 CNR1 (0.50) TACR1GRIA1KMT2ANPSR1TSHR
SCHEMBL12300253 0.90 FOLH1 (0.55) KMT2ANPSR1TSHRESR1ALDH1A1
SCHEMBL3055439 0.89 CNR1 (0.49) TACR1GRIA1KMT2ANPSR1TSHR
SCHEMBL3046555 0.89 CNR1 (0.49) TACR1GRIA1KMT2ANPSR1TSHR
SCHEMBL3055440 0.89 CNR1 (0.49) TACR1GRIA1KMT2ANPSR1TSHR
SCHEMBL3046557 0.89 CNR1 (0.49) TACR1GRIA1KMT2ANPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41339-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2010-05-18 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US disclosed