SCHEMBL9099802

SCHEMBL9099802

C[C](Cc1ccccc1)c1ccccc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
GAA P10253 1/20 0.57
FFAR1 O14842 1/20 0.50
HPGD P15428 4/20 0.47
KMT2A Q03164 2/20 0.47
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
GPR52 Q9Y2T5 1/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CES2 O00748 1/20 0.41

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
SCHEMBL1824047 0.88 SMN1; SMN2 (0.50) SMN1; SMN2GAAFFAR1HPGDKMT2A
SCHEMBL7993035 0.78 HPGD (0.49) SMN1; SMN2GAAHPGDKMT2AL3MBTL1
SCHEMBL30394799 0.78 SMN1; SMN2 (0.60) SMN1; SMN2GAAFFAR1HPGDKMT2A
SCHEMBL7065648 0.78 SMN1; SMN2 (0.51) SMN1; SMN2GAAFFAR1HPGDKMT2A
SCHEMBL1515738 0.78 SMN1; SMN2 (0.60) SMN1; SMN2GAAFFAR1HPGDKMT2A
SCHEMBL9133864 0.76 GABRA1 (0.42) SMN1; SMN2GAAHPGDTSHRPOLB
SCHEMBL817756 0.76 TSHR (0.44) SMN1; SMN2GAAHPGDKMT2ATSHR
SCHEMBL758421 0.75 KDM4E (0.50) HPGDKMT2AL3MBTL1TSHRMAPK1
SCHEMBL153922 0.73 CES1 (0.48) KMT2AL3MBTL1TSHRALDH1A1MEN1
SCHEMBL817135 0.72 SMN1; SMN2 (0.50) SMN1; SMN2GAAHPGDKMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5518661-A PAINT REMOVAL MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-21 US disclosed