SCHEMBL7993485

SCHEMBL7993485

CNC(=O)OCCOc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.68
NPC1 O15118 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
TSHR P16473 1/20 0.68
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
THRB P10828 1/20 0.56
MAPT P10636 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
PKM P14618 1/20 0.53
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
HTR1B P28222 2/20 0.52
HTR1D P28221 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 1/20 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
SCHEMBL14102238 0.84 L3MBTL1 (0.54) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL21595691 0.84 LMNA (0.66) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL13411719 0.83 CHRNB2 (0.57) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL21595963 0.83 MEN1 (0.61) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL20874025 0.83 LMNA (0.49) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL7980661 0.83 RAB9A (0.64) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL21595884 0.83 CYP1A2 (0.50) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL17550873 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL27982971 0.81 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL16134247 0.81 RAB9A (0.66) RAB9ANPC1SMN1; SMN2TSHRLMNA

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 disclosed
US-6015771-A ENHANCED IMAGE INTENSITY OR IMPROVED THERMAL RESPONSE, CARBAMATE BAYER AKTIENGESELLSCHAFT (DE) 2000-01-18 US disclosed
WO-1999061251-A1 THERMALLY-RESPONSIVE RECORD MATERIAL CONTAINING A CARBAMATE COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1999-12-02 WO disclosed