SCHEMBL22497897

SCHEMBL22497897

CCCOC(=O)c1cccc(OO)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ESR1 P03372 1/20 0.51
CHRM1 P11229 1/20 0.51
TSHR P16473 1/20 0.51
SLC6A2 P23975 1/20 0.51
KDR P35968 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SERPINE1 P05121 1/20 0.51
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL28262496 0.88 LMNA (0.68) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL7905955 0.87 KMT2A (0.71) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11505600 0.87 SMN1; SMN2 (0.70) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL111664 0.86 LMNA (0.75) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11749290 0.86 KMT2A (0.60) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27935114 0.84 LMNA (0.58) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL29035735 0.83 ALDH1A1 (0.58) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL23627035 0.82 SMPD1 (0.67) LMNAKMT2ATSHRADRB2ADRB1
SCHEMBL5165716 0.81 LMNA (0.68) LMNAALDH1A1KMT2ASMN1; SMN2ESR1
SCHEMBL28777000 0.81 LMNA (0.68) LMNAALDH1A1KMT2AMEN1SMN1; SMN2

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-3946240-A1 INCREASING THE STABILITY OF AGENTS FOR TREATING KERATIN MATERIAL Henkel AG & Co. KGaA (DE) 2022-02-09 EP disclosed
WO-2020200545-A1 INCREASING THE STABILITY OF AGENTS FOR TREATING KERATIN MATERIAL HENKEL AG & CO. KGAA (DE) 2020-10-08 WO disclosed