SCHEMBL7980661

SCHEMBL7980661

CCNC(=O)OCCOc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
NPC1 O15118 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
TSHR P16473 1/20 0.64
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 2/20 0.53
THRB P10828 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
PKM P14618 1/20 0.50
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 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
SCHEMBL771506 0.94 RAB9A (0.57) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL10878519 0.88 LMNA (0.59) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL10877494 0.88 L3MBTL1 (0.57) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL7998297 0.87 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL10874494 0.87 LMNA (0.51) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL9855850 0.84 TP53 (0.47) RAB9ANPC1SMN1; SMN2TSHRLMNA
Chlorobenzene SCHEMBL10877040 0.84 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL7993485 0.83 RAB9A (0.68) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL17550873 0.83 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TSHRLMNA
SCHEMBL7991551 0.82 RECQL (0.57) RAB9ANPC1SMN1; SMN2TSHRRECQL

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