SCHEMBL5498736

SCHEMBL5498736

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
CYP3A4 P08684 2/20 0.53
NR1I2 O75469 1/20 0.45
ALDH1A1 P00352 3/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
CYP19A1 P11511 1/20 0.35
AR P10275 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 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
SCHEMBL346407 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL346898 0.80 SMN1; SMN2 (0.62) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL5509217 0.79 SMN1; SMN2 (0.64) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL5499577 0.78 SMN1; SMN2 (0.55) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL16076633 0.78 SMN1; SMN2 (0.44) SMN1; SMN2CYP3A4NR1I2ALDH1A1MEN1
SCHEMBL5496214 0.78 SMN1; SMN2 (0.58) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL5494798 0.77 SMN1; SMN2 (0.54) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL5822343 0.77 SMN1; SMN2 (0.58) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL5500321 0.76 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4NR1I2ALDH1A1RECQL
SCHEMBL5498718 0.76 SMN1; SMN2 (0.60) 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 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