SCHEMBL7414480

SCHEMBL7414480

O=C(NC(Cc1ccccc1)C(O)C(=O)O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.61
CTRB1 P17538 2/20 0.59
TACR1 P25103 2/20 0.53
CTSB P07858 2/20 0.53
CTSL P07711 3/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
ATM Q13315 1/20 0.49
CTSD P07339 1/20 0.48
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48
ACE2 Q9BYF1 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
SCHEMBL7418088 1.00 TRPM8 (0.61) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL7245549 1.00 TRPM8 (0.61) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL6350990 1.00 TRPM8 (0.61) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL7430937 1.00 TRPM8 (0.61) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL11407932 0.95 TRPM8 (0.56) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL11414657 0.95 TRPM8 (0.56) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL11422143 0.93 PPARA (0.56) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL7435563 0.93 PPARA (0.56) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL11419293 0.92 TRPM8 (0.57) TRPM8CTRB1TACR1CTSBCTSL
SCHEMBL7433785 0.90 ATM (0.63) TRPM8CTRB1CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4240975-A USED AS ENZYME INHIBITOR, ANTIFERTILITY AGENT, AND ENHANCES THE ANTITUMOR EFFECT OF BLEOMYCIN ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-12-23 US claimed
CN-112125951-A Impurities in ubenimex bulk drug and preparation method thereof 深圳万乐药业有限公司 2020-12-25 CN disclosed
CN-106117075-B Novel ubenimex recrystallization method 上海信谊万象药业股份有限公司 2020-06-12 CN disclosed
CN-109053782-B Multifunctional targeting immune micromolecule anticancer drug Bestazomib citrate and preparation method and application thereof 潍坊博创国际生物医药研究院 2020-01-17 CN disclosed
EP-0364344-B1 Novel peptidase inhibitors MERRELL PHARMA INC (US) 1998-05-06 EP disclosed
US-5736520-A INHIBITING CALPAIN BY ADMINISTERING A DIPEPTIDE OF THE FORMULA BENZYLCARBONYLOXYVAL-NH-CH(-R2)-CHO WHERE R2 IS THE SIDE CHAIN OF PHE; ANTICARCINOGENIC,-ARTHRITIC AND CARDIOTONIC AGENTS; COAGULANTS; STROKE MERRELL PHARMACEUTICALS INC. (US) 1998-04-07 US disclosed
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed
EP-0364344-A2 Novel peptidase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1990-04-18 EP disclosed
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed