SCHEMBL22182602

SCHEMBL22182602

OCC(O)CSCC(O)COc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 2/20 0.50
CYP2D6 P10635 3/20 0.49
TSHR P16473 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.46
HIF1A Q16665 1/20 0.46
RECQL P46063 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BACE1 P56817 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL25731814 0.88 MAPK1 (0.64) KMT2AHSD17B10LMNATSHRL3MBTL1
SCHEMBL6480727 0.85 TSHR (0.62) KMT2ALMNACYP2D6TSHRL3MBTL1
SCHEMBL4619478 0.85 TSHR (0.62) KMT2ALMNACYP2D6TSHRL3MBTL1
SCHEMBL117951 0.85 TSHR (0.62) KMT2ALMNACYP2D6TSHRL3MBTL1
SCHEMBL22509337 0.83 AR (0.42) KMT2AHSD17B10LMNACYP2D6TSHR
Bicarbonate SCHEMBL27926288 0.80 TSHR (0.57) LMNACYP2D6TSHRL3MBTL1ADRB2
SCHEMBL12243254 0.80 AR (0.68) KMT2AHSD17B10LMNACYP2D6TSHR
SCHEMBL267463 0.79 LMNA (0.68) KMT2ALMNACYP2D6TSHRL3MBTL1
SCHEMBL11657351 0.79 MAPT (0.58) KMT2AHSD17B10CYP2D6ADRB2ADRB1
SCHEMBL8994531 0.79 TSHR (0.56) LMNACYP2D6TSHRL3MBTL1ADRB2

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
US-11768436-B2 Protective film forming composition having a diol structure NISSAN CHEMICAL CORPORATION (JP) 2023-09-26 US disclosed
US-11768436-B2 Protective film forming composition having a diol structure NISSAN CHEMICAL CORPORATION (JP) 2023-09-26 US disclosed
US-11635692-B2 Resist underlying film forming composition NISSAN CHEMICAL CORPORATION (JP) 2023-04-25 US disclosed
US-20200319561-A1 PROTECTIVE FILM FORMING COMPOSITION HAVING A DIOL STRUCTURE NISSAN CHEMICAL CORPORATION (JP) 2020-10-08 US disclosed
US-20200209753-A1 RESIST UNDERLYING FILM FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2020-07-02 US disclosed