SCHEMBL6898744

SCHEMBL6898744

CCCCCCCC(CCOC(=O)CC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
VCAM1 P19320 7/20 0.37
ESR1 P03372 3/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
F2R P25116 1/20 0.35
PLA2G2A P14555 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
NR5A2 O00482 1/20 0.34
NR5A1 Q13285 1/20 0.34

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
SCHEMBL1802033 1.00 NAAA (0.43) NAAAGAAXBP1ATMNPSR1
SCHEMBL6897049 1.00 NAAA (0.43) NAAAGAAXBP1ATMNPSR1
SCHEMBL6895017 0.99 NAAA (0.41) NAAAGAAXBP1ATMNPSR1
SCHEMBL6897185 0.94 NAAA (0.38) NAAATHRBCNR1CNR2
SCHEMBL6897176 0.94 NAAA (0.38) NAAATHRBCNR1CNR2
SCHEMBL3338859 0.89 GAA (0.38) NAAAGAAXBP1ATMNPSR1
SCHEMBL27804248 0.89 NAAA (0.35) NAAAGAAXBP1ATMNPSR1
SCHEMBL9429923 0.86 ESR1 (0.41) NAAAGAAXBP1ATMNPSR1
SCHEMBL22749430 0.86 ESR1 (0.41) NAAAGAAXBP1ATMNPSR1
SCHEMBL6300660 0.84 VCAM1 (0.37) GAAXBP1ATMNPSR1L3MBTL1

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-6825277-B2 THERMOPLASTIC ELASTOMER, VULCANIZED RUBBER, AND POLYOLEFIN; POLAR MODIFIER MIXTURE OF CHLORINATED POLYOLEFIN RESIN AND POLYURETHANE; TEAR STRENGTH, MECHANICAL PROPERTIES, STABILITY ADVANCED ELASTOMER SYSTEMS, L.P. 2004-11-30 US disclosed
US-20040077791-A1 Maintains elasticity ADVANCED ELASTOMER SYSTEMS, L.P. 2004-04-22 US disclosed
US-6329327-B1 MOLYBDENUM AMINE COMPOUND FORMED BY REACTION OF HEXAVALENT MOLYBDENUM WITH AMINE ASAHI DENKA KOGYO, K.K. (JP) 2001-12-11 US disclosed