SCHEMBL31473126

SCHEMBL31473126

CCCCCCOC(=O)c1cccc(N(CC)CC)c1O.CCCCCCc1c(C(=O)O)cc(N(CC)CC)c(O)c1C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARA Q07869 1/20 0.41
GPR35 Q9HC97 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38

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
SCHEMBL30995492 0.95 TSHR (0.46) TSHRALDH1A1LMNATP53CYP3A4
Benzoic Acid Hexyl Ester SCHEMBL30779156 0.92 ESR1 (0.45) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL30779137 0.89 TSHR (0.40) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL29510566 0.87 STAT3 (0.42) ALDH1A1MEN1KMT2APPARAKDM4E
SCHEMBL288470 0.87 STAT3 (0.42) ALDH1A1MEN1KMT2APPARAKDM4E
SCHEMBL29886862 0.86 L3MBTL1 (0.52) TSHRALDH1A1LMNATP53CYP3A4
Benzoic Acid SCHEMBL30622599 0.85 STAT3 (0.41) ALDH1A1MEN1KMT2APPARAL3MBTL1
SCHEMBL19611500 0.83 TSHR (0.52) TSHRALDH1A1LMNATP53CYP3A4
Dibenzoylmethane SCHEMBL30439938 0.82 STAT3 (0.39) MEN1KMT2APPARA
Benzoic Acid Hexyl Ester SCHEMBL29687380 0.82 TSHR (0.53) TSHRALDH1A1LMNATP53CYP3A4

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
CN-119816287-A Encapsulation composition and cosmetic or pharmaceutical composition comprising liquid crystal particles and method for producing the same ELC管理有限责任公司 2025-04-11 CN disclosed