SCHEMBL7980860

SCHEMBL7980860

Cc1cccc(NC(=O)OCCOc2cccc(C)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TSHR P16473 1/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPK1 P28482 3/20 0.57
FAAH O00519 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP3A4 P08684 1/20 0.57
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
GAA P10253 1/20 0.52
HTT P42858 1/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.50
HPGD P15428 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
SCHEMBL7980666 0.93 RAB9A (0.74) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7991544 0.90 TP53 (0.61) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7980693 0.87 NPC1 (0.60) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL8211088 0.84 MAPK1 (0.57) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7992673 0.84 RAB9A (0.54) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL14451908 0.83 HSD17B10 (0.71) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7980980 0.83 NPSR1 (0.59) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL10191988 0.82 HPGD (0.71) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL10192012 0.82 HPGD (0.56) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL7992789 0.82 NPSR1 (0.76) 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 4 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
WO-1999061251-A1 THERMALLY-RESPONSIVE RECORD MATERIAL CONTAINING A CARBAMATE COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1999-12-02 WO 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