SCHEMBL7752287

SCHEMBL7752287

CC(O)OC(=O)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.55
ADRB1 P08588 2/20 0.55
ADRB3 P13945 2/20 0.55
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
KMT2A Q03164 4/20 0.51
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
PLK1 P53350 1/20 0.50
UTS2R Q9UKP6 1/20 0.49
CDC25B P30305 2/20 0.49
MMP3 P08254 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
PTPN1 P18031 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL2119530 0.88 NPC1 (0.55) ADRB2ADRB1ADRB3NR4A1NR4A2
SCHEMBL28143597 0.86 NPC1 (0.54) ADRB2ADRB1ADRB3NR4A1NR4A2
SCHEMBL28144632 0.86 NPC1 (0.54) ADRB2ADRB1ADRB3NR4A1NR4A2
SCHEMBL27919018 0.86 NPC1 (0.54) ADRB2ADRB1ADRB3NR4A1NR4A2
SCHEMBL27734273 0.86 NR4A1 (0.55) ADRB2ADRB1ADRB3NR4A1NR4A2
SCHEMBL27883139 0.85 KMT2A (0.50) ADRB2ADRB1ADRB3NR4A1NR4A2
SCHEMBL698844 0.83 NR4A1 (0.53) ADRB2ADRB1ADRB3NR4A1NR4A2
SCHEMBL159455 0.83 TSHR (0.53) KMT2AKDM4EALDH1A1HPGDNPC1
SCHEMBL2114866 0.82 CDC25B (0.52) ADRB2ADRB1ADRB3NR4A1NR4A2
SCHEMBL6279948 0.82 WDR5 (0.41) ADRB2ADRB1ADRB3PLK1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802938-A1 PROCESS FOR PRODUCING POLYETHYLENE NAPHTHALATE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-10-29 EP claimed
WO-1997017391-A1 PROCESS FOR PRODUCING POLYETHYLENE NAPHTHALATE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-05-15 WO claimed
EP-0802896-B1 METHOD FOR PURIFYING CRUDE NAPHTHALENEDICARBOXYLIC ACID MITSUI CHEMICALS INC (JP) 2001-01-03 EP disclosed
EP-0802938-A1 PROCESS FOR PRODUCING POLYETHYLENE NAPHTHALATE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-10-29 EP disclosed
WO-1997017391-A1 PROCESS FOR PRODUCING POLYETHYLENE NAPHTHALATE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-05-15 WO disclosed