SCHEMBL30749815

SCHEMBL30749815

O=C(OCCO)c1ccccc1C(=O)OCCO.[Na]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
TSHR P16473 8/20 0.62
TDP1 Q9NUW8 5/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
CYP3A4 P08684 4/20 0.58
MAPK1 P28482 3/20 0.58
TP53 P04637 2/20 0.58
LMNA P02545 1/20 0.56
NPC1 O15118 3/20 0.52
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL36533 0.98 ALDH1A1 (0.67) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL29668022 0.90 ALDH1A1 (0.62) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL159456 0.90 ALDH1A1 (0.62) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL8619821 0.90 ALDH1A1 (0.58) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
Ammonia Solution, Strong SCHEMBL29142354 0.88 ALDH1A1 (0.61) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL8968346 0.88 TSHR (0.78) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL18411634 0.88 ALDH1A1 (0.61) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
Water SCHEMBL11188129 0.88 ALDH1A1 (0.61) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28676527 0.88 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL896931 0.88 TSHR (0.65) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024036929-A1 POLYESTER FIBER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 深圳麦克韦尔科技有限公司 2024-02-22 WO disclosed