SCHEMBL7991544

SCHEMBL7991544

Cc1ccc(OCCOC(=O)Nc2cccc(C)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.61
LMNA P02545 3/20 0.61
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
TSHR P16473 2/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 2/20 0.54
FAAH O00519 1/20 0.52
CYP3A4 P08684 1/20 0.52
POLB P06746 1/20 0.51
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 1/20 0.49

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 0.92 RAB9A (0.74) TP53LMNARAB9ANPC1SMN1; SMN2
SCHEMBL7980860 0.90 NPC1 (0.62) TP53LMNARAB9ANPC1SMN1; SMN2
SCHEMBL7980669 0.87 NPC1 (0.80) TP53LMNARAB9ANPC1SMN1; SMN2
SCHEMBL8211088 0.83 MAPK1 (0.57) TP53LMNARAB9ANPC1SMN1; SMN2
SCHEMBL7994882 0.82 NPC1 (0.80) TP53LMNARAB9ANPC1SMN1; SMN2
SCHEMBL14451908 0.82 HSD17B10 (0.71) LMNARAB9ANPC1SMN1; SMN2TSHR
SCHEMBL10192011 0.82 RAB9A (0.72) LMNARAB9ANPC1SMN1; SMN2TSHR
SCHEMBL7980980 0.82 NPSR1 (0.59) TP53LMNARAB9ANPC1SMN1; SMN2
SCHEMBL10191988 0.81 HPGD (0.71) LMNARAB9ANPC1SMN1; SMN2TSHR
SCHEMBL10192012 0.81 HPGD (0.56) LMNARAB9ANPC1SMN1; SMN2TSHR

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