SCHEMBL5502192

SCHEMBL5502192

CCc1cc(C(C)(c2ccccc2)c2ccc(OCCO)c(CC)c2)ccc1OCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
MCHR1 Q99705 1/20 0.41
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LTB4R Q15722 3/20 0.38
LTB4R2 Q9NPC1 3/20 0.38
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37

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
SCHEMBL5495360 0.89 PPARG (0.43) ESR1ESR2
SCHEMBL5503968 0.84 ESR1 (0.53) ESR1ESR2KDM4EKMT2AMAPT
SCHEMBL5504504 0.83 MCHR1 (0.40) ESR1ESR2MCHR1KDM4EKMT2A
SCHEMBL7912746 0.81 ESR1 (0.53) ESR1ESR2
SCHEMBL3354835 0.80 ESR1 (0.55) ESR1ESR2KDM4EKMT2AGAA
SCHEMBL17116340 0.79 CYP3A4 (0.57) ESR1ESR2MCHR1KDM4EKMT2A
SCHEMBL19806912 0.79 SLC6A9 (0.49) RARARARBRARGPTGDR2
SCHEMBL7907551 0.79 CYP3A4 (0.38) ESR1ESR2MCHR1KDM4EKMT2A
SCHEMBL7899749 0.77 ESR1 (0.40) ESR1ESR2MCHR1KDM4EKMT2A
SCHEMBL7912756 0.77 ESR1 (0.38) ESR1MCHR1KDM4EKMT2AGAA

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