SCHEMBL8580831

SCHEMBL8580831

CCc1ccc(Oc2ccc(N)cc2)c(C(C)CC)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP19A1 P11511 1/20 0.36
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TEAD4 Q15561 1/20 0.35

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
SCHEMBL8153194 0.91 TDP1 (0.39) TSHRTDP1SMN1; SMN2MAPTNPC1
SCHEMBL8579683 0.89 ACACB (0.42) TSHRTDP1MAPTRAB9AALDH1A1
SCHEMBL8581018 0.88 TSHR (0.41) TSHRTDP1SMN1; SMN2MAPTNPC1
SCHEMBL17660080 0.85 TDP1 (0.46) TSHRTDP1SMN1; SMN2MAPTNPC1
SCHEMBL8157894 0.83 TDP1 (0.39) TSHRTDP1SMN1; SMN2MAPTNPC1
SCHEMBL7613145 0.81 RORC (0.52) TSHRTDP1SMN1; SMN2MAPTNPC1
SCHEMBL8581071 0.78 TSHR (0.50) TSHRTDP1SMN1; SMN2MAPTNPC1
SCHEMBL8776923 0.78 GAA (0.41) TSHRTDP1SMN1; SMN2MAPTALDH1A1
SCHEMBL10712264 0.78 MAPT (0.45) TSHRTDP1SMN1; SMN2MAPTNPC1
SCHEMBL8582322 0.77 SMN1; SMN2 (0.43) TSHRTDP1SMN1; SMN2MAPTNPC1

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
US-5744203-A POLYMER MIXTURES OF POLYURETHANES, POLYESTERS, POLYIMIDES, POLYCARBONATES AND POLYUREAS HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
US-5670084-A Alignment layer material for liquid crystal display devices HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed