SCHEMBL7994779

SCHEMBL7994779

O=C(Nc1ccc(Cl)cc1)OCCOc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.80
RAB9A P51151 6/20 0.80
SMN1; SMN2 Q16637 3/20 0.80
TSHR P16473 1/20 0.80
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
LMNA P02545 1/20 0.66
TP53 P04637 1/20 0.66
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
RECQL P46063 1/20 0.52
KCNA5 P22460 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGD P15428 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
FAAH O00519 4/20 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
SCHEMBL7980732 0.94 NPC1 (0.80) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7995865 0.92 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL4076346 0.89 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7991486 0.86 KCNA5 (0.61) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7994882 0.85 NPC1 (0.80) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL17342583 0.85 NPC1 (0.80) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7980693 0.84 NPC1 (0.60) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7995034 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7995040 0.83 RAB9A (0.76) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL8655167 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2TSHRMEN1

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-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