SCHEMBL11780313

SCHEMBL11780313

O=C(OCCCCCCO)c1cc2ccccc2cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 8/20 0.53
MAPK1 P28482 3/20 0.53
USP2 O75604 1/20 0.53
TDP1 Q9NUW8 3/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
TSHR P16473 5/20 0.49
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
NCOA1 Q15788 1/20 0.46

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
SCHEMBL11776057 0.98 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMAPK1USP2TDP1
SCHEMBL10490463 0.88 SMN1; SMN2 (0.60) SMN1; SMN2MAPTMAPK1USP2TDP1
SCHEMBL28099429 0.87 TSHR (0.68) SMN1; SMN2MAPK1TDP1TSHRLMNA
SCHEMBL28099572 0.87 TSHR (0.68) SMN1; SMN2MAPK1TDP1TSHRLMNA
SCHEMBL27509713 0.87 TSHR (0.68) SMN1; SMN2MAPK1TDP1TSHRLMNA
SCHEMBL7107686 0.87 TSHR (0.68) SMN1; SMN2MAPK1TDP1TSHRLMNA
SCHEMBL10684173 0.87 TSHR (0.68) SMN1; SMN2MAPK1TDP1TSHRLMNA
SCHEMBL28355616 0.87 TSHR (0.68) SMN1; SMN2MAPK1TDP1TSHRLMNA
SCHEMBL2138083 0.81 TDP1 (0.77) MAPK1TDP1KMT2ATSHRLMNA
SCHEMBL12189726 0.81 TDP1 (0.77) MAPK1TDP1KMT2ATSHRLMNA

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-3971741-A DISPERSION PIGMENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed