SCHEMBL8596103

SCHEMBL8596103

COC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](S)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.40
GLA P06280 1/20 0.40
ADAMTS4 O75173 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
MEP1B Q16820 2/20 0.39
BIRC2 Q13490 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
CTNNB1 P35222 1/20 0.39
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL12158277 0.81 LMNA (0.61) HSD17B10LMNATDP1ALDH1A1KMT2A
SCHEMBL11097672 0.79 KMT2A (0.44) HSD17B10LMNATDP1ALDH1A1THRB
SCHEMBL20133901 0.75 KMT2A (0.51) LMNATDP1ALDH1A1KMT2A
SCHEMBL9398218 0.75 MME (0.38) HSD17B10LMNATDP1ALDH1A1CYP2C19
SCHEMBL15471556 0.75 KMT2A (0.49) HSD17B10LMNATDP1ALDH1A1CYP2C19
SCHEMBL8596105 0.74 GPR139 (0.56) HSD17B10LMNATDP1ALDH1A1KMT2A
SCHEMBL19177610 0.73 GNPAT (0.57) HSD17B10ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL11098132 0.73 NPC1 (0.42) LMNAKMT2A
SCHEMBL11913605 0.73 KMT2A (0.51) HSD17B10LMNATDP1ALDH1A1CYP2C19
SCHEMBL28502817 0.73 POLB (0.51) ALDH1A1KMT2ANAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710228-B1 HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N 3?S CONFIGURATION RESOLUTION PHARM INC (CA) 1998-01-21 EP disclosed
US-5659041-A MEDICAL DIAGNOSIS, THERAPY RESOLUTION PHARMACEUTICALS, INC. (CA) 1997-08-19 US disclosed
EP-0710228-A1 HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N 3?S CONFIGURATION RESOLUTION PHARMACEUTICALS INC. (CA) 1996-05-08 EP disclosed
WO-1995003280-A1 HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N3S CONFIGURATION RESOLUTION PHARMACEUTICALS INC. (CA) 1995-02-02 WO disclosed