SCHEMBL20090508

SCHEMBL20090508

CC(c1ccccc1)c1cc(C(C)c2ccccc2)c(OCCOCCOCCOCCO)cc1OCCOCCOCCOCCO

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 3/20 0.39
TYR P14679 1/20 0.39
PTK2B Q14289 1/20 0.39
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
KDM4E B2RXH2 5/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 1/20 0.35
HTR1A P08908 1/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL16021965 0.88 ALDH1A1 (0.36) ALDH1A1KMT2ATYRPTK2BADRB2
SCHEMBL20090507 0.87 MAPK1 (0.41) ALDH1A1KMT2ATYRKDM4ELMNA
SCHEMBL19760409 0.82 TYR (0.38) ALDH1A1KMT2ATYRLMNASMN1; SMN2
SCHEMBL13875587 0.78 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL14408937 0.78 ALDH1A1 (0.40) ALDH1A1KMT2ATYRADRB2KDM4E
SCHEMBL28815995 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL20090509 0.77 MAPK1 (0.35) ALDH1A1KMT2ATYRADRB2ADRB1
SCHEMBL11329638 0.77 ALDH1A1 (0.48) ALDH1A1KMT2ATYRADRB2KDM4E
SCHEMBL22418734 0.74 ALDH1A1 (0.40) ALDH1A1KMT2AADRB2KDM4ELMNA
SCHEMBL7751521 0.72 LMNA (0.56) ALDH1A1KMT2APTK2BADRB2ADRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3529342-B1 WHITENING COMPOSITION UNILEVER PLC (GB) 2020-03-18 EP disclosed
WO-2018072979-A1 WHITENING COMPOSITION UNILEVER PLC (GB) 2018-04-26 WO disclosed