SCHEMBL7980666

SCHEMBL7980666

Cc1cccc(NC(=O)OCCOc2ccccc2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.74
NPC1 O15118 4/20 0.74
TSHR P16473 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
MAPK1 P28482 3/20 0.65
LMNA P02545 3/20 0.65
TP53 P04637 1/20 0.65
FAAH O00519 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MGLL Q99685 1/20 0.53
POLB P06746 2/20 0.52
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL7980860 0.93 NPC1 (0.62) RAB9ANPC1TSHRSMN1; SMN2MEN1
SCHEMBL7991544 0.92 TP53 (0.61) RAB9ANPC1TSHRSMN1; SMN2MEN1
SCHEMBL4076346 0.85 NPC1 (1.00) RAB9ANPC1TSHRSMN1; SMN2MEN1
SCHEMBL7980669 0.85 NPC1 (0.80) RAB9ANPC1TSHRSMN1; SMN2MEN1
SCHEMBL7994882 0.85 NPC1 (0.80) RAB9ANPC1TSHRSMN1; SMN2MEN1
SCHEMBL17346690 0.84 NPC1 (0.66) RAB9ANPC1TSHRSMN1; SMN2MEN1
SCHEMBL7980980 0.84 NPSR1 (0.59) RAB9ANPC1TSHRSMN1; SMN2MEN1
SCHEMBL7992789 0.83 NPSR1 (0.76) RAB9ANPC1TSHRSMN1; SMN2MEN1
SCHEMBL8211088 0.83 MAPK1 (0.57) RAB9ANPC1TSHRSMN1; SMN2MEN1
SCHEMBL7998271 0.82 NPSR1 (0.56) RAB9ANPC1TSHRSMN1; SMN2MEN1

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