SCHEMBL8979349

SCHEMBL8979349

C=CCC(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)CO

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.33
KIF11 P52732 3/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL21351764 0.75 KIF11 (0.37) CYP2C19ALDH1A1TSHRKDM4EMAPT
SCHEMBL6645524 0.74 KIF11 (0.39) ALDH1A1TSHRKDM4EKIF11KCNH2
SCHEMBL6645522 0.74 KIF11 (0.39) ALDH1A1TSHRKDM4EKIF11KCNH2
SCHEMBL8672157 0.74 RCE1 (0.39) CYP2C19TSHRKDM4EMAPTHTT
SCHEMBL8672156 0.74 RCE1 (0.39) CYP2C19TSHRKDM4EMAPTHTT
SCHEMBL5505473 0.74 CYP2C19 (0.39) CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL6671853 0.71 KIF11 (0.38) CYP2C19ALDH1A1TSHRKIF11CYP3A4
SCHEMBL10446011 0.71 CYP2C19 (0.36) CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL7514211 0.70 TK1 (0.42) CYP2C19ALDH1A1TSHRHTTKIF11
SCHEMBL8502919 0.70 TK1 (0.42) CYP2C19ALDH1A1TSHRHTTKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710225-A1 FLUORESCENCE DETERMINATION OF THE ACTIVITY OF LIPOLYTIC ENZYMES PROGEN Biotechnik GmbH (DE) 1996-05-08 EP disclosed
WO-1995032181-A1 FLUORESCENCE DETERMINATION OF THE ACTIVITY OF LIPOLYTIC ENZYMES PROGEN BIOTECHNIK GMBH (DE) 1995-11-30 WO disclosed