SCHEMBL3703776

SCHEMBL3703776

COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)C2c2ccc3c(c2)OCO3)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
LMNA P02545 2/20 0.58
CYP2C9 P11712 3/20 0.58
POLB P06746 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 1/20 0.58
ALDH1A1 P00352 7/20 0.56
HTT P42858 2/20 0.56
ALOX15 P16050 7/20 0.56
USP2 O75604 1/20 0.56
MAPT P10636 1/20 0.56
FPR1 P21462 3/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
USP7 Q93009 1/20 0.49
GAA P10253 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL3707111 0.89 SMN1; SMN2 (0.55) SMN1; SMN2LMNACYP2C9POLBCYP3A4
SCHEMBL3702953 0.84 ALDH1A1 (0.64) SMN1; SMN2LMNACYP2C9POLBCYP2C19
SCHEMBL3711099 0.83 USP7 (0.60) SMN1; SMN2ALDH1A1HTTALOX15USP2
SCHEMBL3715636 0.77 ALDH1A1 (0.61) SMN1; SMN2LMNAALDH1A1ALOX15USP2
SCHEMBL3707512 0.75 ALOX15 (0.70) SMN1; SMN2LMNACYP2C9POLBCYP2C19
SCHEMBL3709177 0.71 USP7 (0.57) SMN1; SMN2ALDH1A1HTTALOX15USP2
SCHEMBL6721712 0.69 ALOX15 (0.74) SMN1; SMN2LMNACYP2C9POLBCYP3A4
SCHEMBL3706307 0.69 USP7 (0.69) SMN1; SMN2LMNACYP2C9POLBCYP3A4
SCHEMBL16904825 0.69 ALOX15 (0.63) SMN1; SMN2LMNACYP2C9POLBCYP3A4
SCHEMBL3708643 0.69 MEN1 (0.61) SMN1; SMN2LMNACYP2C9POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2208725-A1 Novel specific inhibitors of ubiquitin specific protease 7, the pharmaceutical compositions thereof and their therapeutic applications Hybrigenics S.A. (FR) 2010-07-21 EP claimed
US-20220125760-A1 USE OF USP7 INHIBITORS FOR THE TREATMENT OF ACUTE MYELOID LEUKEMIA (AML) UNIVERSITÉ PAUL SABATIER TOULOUSE III (FR) 2022-04-28 US disclosed
EP-3923987-A1 USE OF USP7 INHIBITORS FOR THE TREATMENT OF ACUTE MYELOID LEUKEMIA (AML) Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2021-12-22 EP disclosed
WO-2020165315-A1 USE OF USP7 INHIBITORS FOR THE TREATMENT OF ACUTE MYELOID LEUKEMIA (AML) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-08-20 WO disclosed
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 disclosed
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 disclosed
EP-2208725-A1 Novel specific inhibitors of ubiquitin specific protease 7, the pharmaceutical compositions thereof and their therapeutic applications Hybrigenics S.A. (FR) 2010-07-21 EP disclosed
EP-2208725-A1 Novel specific inhibitors of ubiquitin specific protease 7, the pharmaceutical compositions thereof and their therapeutic applications Hybrigenics S.A. (FR) 2010-07-21 EP disclosed