SCHEMBL5494864

SCHEMBL5494864

CCCCC(C)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NR1I2 O75469 1/20 0.47
ALDH1A1 P00352 6/20 0.46
USP2 O75604 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
KMT2A Q03164 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
LTA4H P09960 3/20 0.45
NR5A1 Q13285 1/20 0.45
CYP2D6 P10635 2/20 0.44
RECQL P46063 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5502356 0.95 CYP3A4 (0.54) CYP3A4SMN1; SMN2NR1I2ALDH1A1USP2
SCHEMBL347176 0.94 CYP3A4 (0.53) CYP3A4SMN1; SMN2NR1I2ALDH1A1USP2
SCHEMBL5496214 0.90 SMN1; SMN2 (0.58) CYP3A4SMN1; SMN2NR1I2ALDH1A1USP2
SCHEMBL5707303 0.83 SMN1; SMN2 (0.58) CYP3A4SMN1; SMN2NR1I2ALDH1A1LMNA
SCHEMBL346898 0.83 SMN1; SMN2 (0.62) CYP3A4SMN1; SMN2NR1I2ALDH1A1USP2
SCHEMBL4074135 0.83 CYP3A4 (0.62) CYP3A4SMN1; SMN2NR1I2ALDH1A1USP2
SCHEMBL15162229 0.82 NR1I2 (0.64) CYP3A4SMN1; SMN2NR1I2ALDH1A1USP2
SCHEMBL5509217 0.81 SMN1; SMN2 (0.64) CYP3A4SMN1; SMN2NR1I2ALDH1A1LMNA
SCHEMBL13902305 0.80 CYP3A4 (0.68) CYP3A4SMN1; SMN2NR1I2ALDH1A1USP2
SCHEMBL5494798 0.79 SMN1; SMN2 (0.54) CYP3A4SMN1; SMN2NR1I2ALDH1A1LMNA

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