SCHEMBL3707111

SCHEMBL3707111

CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccnc1.COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)C2c2ccc3c(c2)OCO3)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
ALOX15 P16050 6/20 0.54
FPR1 P21462 2/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALDH1A1 P00352 7/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
LMNA P02545 2/20 0.51
GAA P10253 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HTT P42858 2/20 0.49
HSD17B10 Q99714 1/20 0.48
TSHR P16473 1/20 0.48
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL3715636 0.92 ALDH1A1 (0.61) SMN1; SMN2ALOX15FPR1KDM4EALDH1A1
SCHEMBL3703776 0.89 SMN1; SMN2 (0.64) SMN1; SMN2ALOX15FPR1KDM4EPOLB
SCHEMBL3702953 0.83 ALDH1A1 (0.64) SMN1; SMN2ALOX15FPR1KDM4EPOLB
SCHEMBL3709876 0.80 ALDH1A1 (0.74) SMN1; SMN2ALOX15FPR1KDM4EPOLB
SCHEMBL3707512 0.76 ALOX15 (0.70) SMN1; SMN2ALOX15FPR1KDM4EPOLB
SCHEMBL3711099 0.73 USP7 (0.60) SMN1; SMN2ALOX15KDM4EALDH1A1RXFP1
SCHEMBL3709481 0.71 ALDH1A1 (0.66) SMN1; SMN2ALOX15FPR1KDM4EPOLB
SCHEMBL3706130 0.70 ALOX15 (0.62) ALOX15FPR1KDM4EPOLBALDH1A1
SCHEMBL6721712 0.69 ALOX15 (0.74) SMN1; SMN2ALOX15FPR1KDM4EPOLB
SCHEMBL3709852 0.69 MEN1 (0.59) SMN1; SMN2ALOX15FPR1KDM4EPOLB

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
WO-2010081783-A1 NOVEL SPECIFIC INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2010-07-22 WO claimed