SCHEMBL7995865

SCHEMBL7995865

O=C(Nc1ccc(Cl)cc1)OCCOc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
TSHR P16473 1/20 0.67
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
HRH3 Q9Y5N1 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 1/20 0.52
EPHX2 P34913 1/20 0.52
KCNA5 P22460 2/20 0.51

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
SCHEMBL7991486 0.93 KCNA5 (0.61) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7994779 0.92 NPC1 (0.80) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7980732 0.92 NPC1 (0.80) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL9126736 0.85 LMNA (0.51) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL9149942 0.83 MEN1 (0.58) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL9149368 0.83 KMT2A (0.58) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7980693 0.82 NPC1 (0.60) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL21595884 0.82 CYP1A2 (0.50) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7995034 0.81 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL21059157 0.81 RAB9A (0.73) NPC1RAB9ASMN1; SMN2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294502-B1 Thermally-responsive record material BAYER AKTIENGESELLSCHAFT (DE) 2001-09-25 US claimed
US-6294502-B1 Thermally-responsive record material BAYER AKTIENGESELLSCHAFT (DE) 2001-09-25 US disclosed
WO-1999061251-A1 THERMALLY-RESPONSIVE RECORD MATERIAL CONTAINING A CARBAMATE COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1999-12-02 WO disclosed