SCHEMBL5498995

SCHEMBL5498995

Cc1cc(C(C)(c2ccccc2)c2cc(C)c(OCCO)c(C)c2)cc(C)c1OCCO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
ALDH1A1 P00352 3/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTR1A P08908 1/20 0.38
MCHR1 Q99705 1/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ACSS2 Q9NR19 2/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL5504504 0.83 MCHR1 (0.40) ESR1ESR2ALDH1A1RECQLGAA
SCHEMBL5503968 0.81 ESR1 (0.53) ESR1ESR2ALDH1A1RECQLKDM4E
SCHEMBL5501321 0.81 NR1H2 (0.39) ESR1ESR2ALDH1A1RECQLMCHR1
SCHEMBL7112190 0.80 ALDH1A1 (0.48) ESR2ALDH1A1RECQLGAAKDM4E
SCHEMBL8201459 0.79 HTR1A (0.43) ALDH1A1GAAKDM4EHTR1ACYP3A4
SCHEMBL347042 0.79 HTR1A (0.43) ESR1ALDH1A1RECQLGAAKDM4E
SCHEMBL347297 0.78 ALDH1A1 (0.62) ESR1ESR2ALDH1A1RECQLGAA
SCHEMBL28539199 0.77 ALDH1A1 (0.40) ESR2ALDH1A1RECQLHTR1AMEN1
SCHEMBL17565208 0.77 HTR1A (0.34) ESR1ESR2ALDH1A1RECQLGAA
SCHEMBL3421156 0.76 ESR1 (0.40) ESR1ESR2ALDH1A1RECQLGAA

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
EP-0894620-B1 NEAR INFRARED RAY ABSORPTION FILM AND MULTI-LAYERED PANEL INCLUDING SAME KANEBO TRINITY HOLDINGS LTD (JP) 2007-06-06 EP disclosed
US-6255031-B1 TO PREVENT THE PENETRATION OF THE RAYS THROUGH THE FILM, THEREBY PREVENTING MALFUNCTION OF REMOTE-CONTROL INFRARED COMMUNICATION PORTS WHICH USE RAYS FALLING WITHIN AN INFRARED RANGE FOR COMMUNICATION KANEBO, LTD. (JP) 2001-07-03 US disclosed
EP-0894620-A1 NEAR INFRARED RAY ABSORPTION FILM AND MULTI-LAYERED PANEL INCLUDING SAME KANEBO LTD. (JP) 1999-02-03 EP disclosed