SCHEMBL19704875

SCHEMBL19704875

CCc1c(OCc2ccccc2)ccc(C(=O)OC)c1CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 3/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK14 Q16539 1/20 0.47
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BRD4 O60885 1/20 0.46
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
SGMS2 Q8NHU3 2/20 0.45

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
SCHEMBL19705426 0.92 CTSD (0.46) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL2394509 0.89 MAPT (0.56) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL4416634 0.82 FOLH1 (0.58) SMN1; SMN2MAPTCYP2C9CYP2C19L3MBTL1
SCHEMBL6933049 0.82 CTSD (0.58) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL6938240 0.81 CTSD (0.48) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL5213152 0.81 SGMS2 (0.51) SMN1; SMN2MAPTTDP1L3MBTL1HPGD
SCHEMBL19610526 0.80 HPGD (0.57) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL978857 0.79 HTT (0.64) SMN1; SMN2MAPTL3MBTL1LMNANPC1
SCHEMBL31220629 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL19610500 0.78 HPGD (0.58) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1

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
WO-2017214335-A1 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2017214458-A2 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed