SCHEMBL29901426

SCHEMBL29901426

CCCCCCCCCCCCCCCCCCCCOC(=O)c1cccc(C)c1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
TSHR P16473 4/20 0.71
LMNA P02545 2/20 0.71
CYP3A4 P08684 2/20 0.69
MAPK1 P28482 2/20 0.69
TP53 P04637 1/20 0.69
HSD17B10 Q99714 2/20 0.62
KDM4E B2RXH2 2/20 0.62
POLB P06746 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
ESR1 P03372 1/20 0.52
MMP2 P08253 1/20 0.51
MAPT P10636 2/20 0.50
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
MMP12 P39900 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL28902727 1.00 ALDH1A1 (0.71) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL16051405 0.94 TSHR (0.70) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL15987525 0.88 ALDH1A1 (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL15987671 0.88 ALDH1A1 (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6057066 0.88 ALDH1A1 (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28487576 0.88 ALDH1A1 (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28106548 0.88 ALDH1A1 (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5709964 0.88 ALDH1A1 (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL15987720 0.88 ALDH1A1 (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1
O-Xylene SCHEMBL27364986 0.88 ALDH1A1 (0.87) ALDH1A1TSHRLMNACYP3A4MAPK1

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
EP-4065655-A1 COMPOSITION MADE FROM (METH)ACRYLATE MONOMERS Bostik SA (FR) 2022-10-05 EP disclosed