SCHEMBL3055256

SCHEMBL3055256

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.50
ACACB O00763 4/20 0.49
TSHR P16473 2/20 0.49
ESR1 P03372 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GRIA1 P42261 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LNPEP Q9UIQ6 1/20 0.44

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
SCHEMBL3055258 1.00 TACR1 (0.50) TACR1ACACBTSHRESR1LMNA
SCHEMBL3055186 0.96 CNR1 (0.50) TACR1ACACBTSHRESR1LMNA
SCHEMBL3055185 0.96 CNR1 (0.50) TACR1ACACBTSHRESR1LMNA
SCHEMBL3055439 0.95 CNR1 (0.49) TACR1ACACBTSHRESR1LMNA
SCHEMBL3046555 0.95 CNR1 (0.49) TACR1ACACBTSHRESR1LMNA
SCHEMBL3046557 0.95 CNR1 (0.49) TACR1ACACBTSHRESR1LMNA
SCHEMBL3055440 0.95 CNR1 (0.49) TACR1ACACBTSHRESR1LMNA
SCHEMBL3046854 0.92 TACR1 (0.52) TACR1ACACBTSHRESR1GRIA1
SCHEMBL3046853 0.92 TACR1 (0.52) TACR1ACACBTSHRESR1GRIA1
SCHEMBL9488064 0.88 TACR1 (0.61) TACR1TSHRITGB3ITGA2BKMT2A

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-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