SCHEMBL4758043

SCHEMBL4758043

CC1=C(C(=O)O)C(C)(c2ccccc2Cl)C(C(=O)O)=C(C)N1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALDH1A1 P00352 3/20 0.37
NOTUM Q6P988 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
HDAC4 P56524 2/20 0.35
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 2/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 3/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL3393583 0.88 TSHR (0.40) CRHBPCRHR2ALDH1A1NOTUMKDM4E
SCHEMBL4757323 0.82 SMN1; SMN2 (0.40) ALDH1A1NOTUMKDM4ETP53LMNA
SCHEMBL7154241 0.81 HTR1A (0.38) KDM4EGAACYP3A4CYP2C9CYP2C19
SCHEMBL3391587 0.79 KDM4E (0.44) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL4756140 0.79 CRHBP (0.35) CRHBPCRHR2ALDH1A1KDM4EGAA
SCHEMBL3394045 0.78 MEN1 (0.34) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL3027396 0.78 TSHR (0.43) ALDH1A1KDM4EGAATP53MAPT
SCHEMBL3394019 0.75 CCR2 (0.43) NOTUM
SCHEMBL9101372 0.73 TSHR (0.37) CRHBPCRHR2ALDH1A1NOTUMKDM4E
SCHEMBL2365028 0.73 TSHR (0.37) CRHBPCRHR2ALDH1A1NOTUMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105301164-B A kind of detection method of Levamlodipine beaylate tablets about material 宜昌东阳光长江药业股份有限公司 2017-06-27 CN disclosed
CN-105301164-A Detection method of levamlodipine besylate tablet related substances YICHANG CHANGJIANG PHARMACEUTICAL CO LTD 2016-02-03 CN disclosed
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 WO disclosed
EP-1858325-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS Roskamp Research LLC (US) 2007-11-28 EP disclosed
WO-2006074419-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS ROSKAMP RESEARCH LLC (US) 2006-07-13 WO disclosed