SCHEMBL6420482

SCHEMBL6420482

CN(C(=O)OCc1ccccc1)[C@@H](CCS)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.48
ABCB1 P08183 2/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
ALDH1A1 P00352 4/20 0.45
CTRB1 P17538 2/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL6412987 0.89 ABCB1 (0.50) FOLH1ABCB1ITGB3ITGA2BCTSK
SCHEMBL7454974 0.89 ABCB1 (0.50) FOLH1ABCB1ITGB3ITGA2BCTSK
SCHEMBL28486332 0.89 ABCB1 (0.50) FOLH1ABCB1ITGB3ITGA2BCTSK
SCHEMBL11306029 0.87 FOLH1 (0.49) FOLH1ABCB1ITGB3ITGA2BCTSK
SCHEMBL25183100 0.86 CTSK (0.51) FOLH1ABCB1ITGB3ITGA2BCTSK
SCHEMBL7087077 0.86 FOLH1 (0.63) FOLH1ABCB1ITGB3ITGA2BCTSK
SCHEMBL28404302 0.86 FOLH1 (0.63) FOLH1ABCB1ITGB3ITGA2BCTSK
SCHEMBL24447455 0.86 CTSK (0.51) FOLH1ABCB1ITGB3ITGA2BCTSK
SCHEMBL25177917 0.85 CTSK (0.47) FOLH1ABCB1ITGB3ITGA2BCTSK
SCHEMBL24633951 0.85 CTSK (0.47) FOLH1ABCB1ITGB3ITGA2BCTSK

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
EP-1313738-A4 PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS IMMUNOGEN INC (US) 2005-01-19 EP disclosed
EP-1313738-A1 PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS Immunogen, Inc. (US) 2003-05-28 EP disclosed
WO-2002016368-A1 PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS IMMUNOGEN, INC. (US) 2002-02-28 WO disclosed