SCHEMBL7992673

SCHEMBL7992673

Cc1cccc(OCCOC(=O)Nc2ccccc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL7980660 0.89 NPC1 (0.68) RAB9ANPC1SMN1; SMN2TSHRL3MBTL1
SCHEMBL7980688 0.86 KMT2A (0.59) RAB9ANPC1SMN1; SMN2TSHRL3MBTL1
SCHEMBL7980860 0.84 NPC1 (0.62) RAB9ANPC1SMN1; SMN2TSHRL3MBTL1
SCHEMBL7992893 0.81 NPC1 (0.58) RAB9ANPC1SMN1; SMN2L3MBTL1TDP1
SCHEMBL7980666 0.80 RAB9A (0.74) RAB9ANPC1SMN1; SMN2TSHRL3MBTL1
SCHEMBL7980693 0.80 NPC1 (0.60) RAB9ANPC1SMN1; SMN2TSHRL3MBTL1
SCHEMBL17346690 0.78 NPC1 (0.66) RAB9ANPC1SMN1; SMN2TSHRCYP1A2
SCHEMBL7994876 0.77 NPSR1 (0.69) RAB9ANPC1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL17856292 0.77 NPC1 (0.65) RAB9ANPC1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL8895204 0.77 L3MBTL1 (0.62) RAB9ASMN1; SMN2L3MBTL1TDP1KMT2A

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