SCHEMBL5498718

SCHEMBL5498718

CC(C)C(C)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
CYP3A4 P08684 1/20 0.60
NR1I2 O75469 1/20 0.47
ALDH1A1 P00352 2/20 0.47
RECQL P46063 1/20 0.47
GAA P10253 2/20 0.41
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
PSMB1 P20618 2/20 0.40
PSMB5 P28074 2/20 0.40
PSMB2 P49721 2/20 0.40
AR P10275 1/20 0.39
NR1H2 P55055 1/20 0.39
HTT P42858 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL5501453 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL5499577 0.85 SMN1; SMN2 (0.55) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL7912770 0.84 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL5500321 0.83 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL5495193 0.82 SMN1; SMN2 (0.53) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL79031 0.81 SMN1; SMN2 (0.68) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL4254052 0.81 SMN1; SMN2 (0.68) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL9818198 0.81 SMN1; SMN2 (0.68) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL270793 0.81 SMN1; SMN2 (0.68) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL17787258 0.80 SMN1; SMN2 (0.54) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL

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-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
US-6187493-B1 CHARGE GENERATING MATERIAL AND ELECTRON TRANSFER MATERIAL UNIFORMLY DISPERSED WITHIN COMPATIBLE POLYESTER BINDER; PHOTOSENSITIVITY, WEAR RESISTANCE, ADHESION TO ELECTROCONDUCTIVE SUBSTRATE KYOCERA MITA CORPORATION (JP) 2001-02-13 US disclosed
EP-0894620-A1 NEAR INFRARED RAY ABSORPTION FILM AND MULTI-LAYERED PANEL INCLUDING SAME KANEBO LTD. (JP) 1999-02-03 EP disclosed
EP-0738934-A2 Electrophotosensitive material MITA INDUSTRIAL CO., LTD. (JP) 1996-10-23 EP disclosed