SCHEMBL10839815

SCHEMBL10839815

CC1(c2ccc(N)c(C(=O)c3ccccc3)c2)OCCO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.50
LMNA P02545 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 2/20 0.45
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL14434166 0.84 MAPT (0.50) MAPTPOLBGAALMNATSHR
SCHEMBL13714281 0.81 ALDH1A1 (0.39) MAPTPOLBLMNATSHRMAPK1
SCHEMBL4382647 0.80 MAPT (0.49) MAPTPOLBGAALMNATSHR
SCHEMBL7608088 0.73 MAPT (0.62) MAPTPOLBGAALMNATSHR
SCHEMBL3212070 0.73 PARP1 (0.47) TSHR
SCHEMBL4385349 0.72 MAPT (0.53) MAPTPOLBGAALMNATSHR
SCHEMBL7508753 0.72 ALDH1A1 (0.45) LMNAHTTSMN1; SMN2NPC1ALDH1A1
SCHEMBL31366618 0.72 MAPT (0.73) MAPTPOLBGAALMNATSHR
SCHEMBL5383825 0.72 MAPT (0.73) MAPTPOLBGAALMNATSHR
SCHEMBL5559119 0.71 MAPT (0.68) MAPTPOLBGAALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4579679-A Electroactive polymers CHEVRON RESEARCH COMPANY (US) 1986-04-01 US disclosed
EP-0126064-A4 ELECTROACTIVE POLYMERS. CHEVRON RES (US) 1985-07-01 EP disclosed
US-4519937-A DOPED UNITS OF A FUSED NITROGEN-CONTAINING UNSATURATED HETEROCYCLIC RING CHEVRON RESEARCH COMPANY (US) 1985-05-28 US disclosed
US-4519938-A TRACTABLE, DOPED HETEROCYCLIC RINGS CHEVRON RESEARCH COMPANY (US) 1985-05-28 US disclosed
EP-0126064-A1 ELECTROACTIVE POLYMERS CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1984-11-28 EP disclosed
WO-1984002030-A1 ELECTROACTIVE POLYMERS CHEVRON RES (US) 1984-05-24 WO disclosed