SCHEMBL8938060

SCHEMBL8938060

CC(=O)N[C@@H](Cc1ccc(OC(=O)[C@@H](N)Cc2ccccc2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.57
ITGA2B P08514 6/20 0.57
PPARG P37231 3/20 0.52
GNPAT O15228 1/20 0.51
TACR1 P25103 1/20 0.50
KMT2A Q03164 1/20 0.50
FPR2 P25090 1/20 0.50
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
LTA4H P09960 1/20 0.48
LMNA P02545 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48

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
SCHEMBL7560095 0.88 ITGB3 (0.55) ITGB3ITGA2BPPARGKMT2AALDH1A1
Afalanine SCHEMBL11799100 0.87 GNPAT (0.55) ITGB3ITGA2BGNPATTACR1FPR2
SCHEMBL7688895 0.85 ITGB3 (0.57) ITGB3ITGA2BPPARGGNPATTACR1
SCHEMBL7559199 0.85 ITGB3 (0.52) ITGB3ITGA2BPPARGGNPATKMT2A
Afalanine SCHEMBL11797592 0.85 TACR1 (0.55) ITGB3ITGA2BGNPATTACR1LTA4H
SCHEMBL6372257 0.84 ITGB3 (0.61) ITGB3ITGA2BTACR1ALDH1A1ALOX15
Afalanine SCHEMBL20898467 0.84 ALPI (0.69) ITGB3ITGA2BGNPATLTA4HLMNA
Afalanine SCHEMBL9445674 0.84 ALPI (0.69) ITGB3ITGA2BGNPATLTA4HLMNA
Phenylalanine SCHEMBL5699042 0.84 SLC7A5 (0.69) ITGB3ITGA2BPPARGALOX15
Phenylalanine SCHEMBL5608077 0.84 SLC7A5 (0.69) ITGB3ITGA2BPPARGALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508182-A PRODUCING AMPHIPHILIC COMPOUNDS, 1-MONOGLYCERIDES, SUGAR ETERS ON SOLID SUPPORTS USING A HYDROLASE SCHNEIDER MANFRED P (DE) 1996-04-16 US disclosed
WO-1992014830-A1 ENZYMATIC REVERSE HYDROLYSIS OF HYDROPHILIC SUBSTRATES - PREPARATION OF AMPHIPHILIC COMPOUNDS SCHNEIDER MANFRED P (DE) 1992-09-03 WO disclosed