SCHEMBL28965964

SCHEMBL28965964

CCCCCCOCC(O)COc1ccccc1C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.52
▸ LMNA P02545 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ ADRB2 P07550 1/20 0.52
▸ ADRB1 P08588 1/20 0.52
▸ ADRB3 P13945 1/20 0.52
▸ CYP3A4 P08684 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ POLB P06746 2/20 0.47

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
Exiproben SCHEMBL1643758 0.87 KMT2A (0.54) TSHRLMNAALDH1A1CYP3A4MEN1
SCHEMBL8982913 0.85 LMNA (0.68) TSHRLMNAALDH1A1CYP3A4MEN1
SCHEMBL339281 0.85 LMNA (0.68) TSHRLMNAALDH1A1CYP3A4MEN1
SCHEMBL28932519 0.84 LMNA (0.60) TSHRLMNAALDH1A1CYP3A4MEN1
SCHEMBL28701844 0.84 LMNA (0.60) TSHRLMNAALDH1A1CYP3A4MEN1
SCHEMBL13328775 0.81 KDM4E (0.57) LMNAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL10599264 0.81 HTT (0.50) TSHRADRB2ADRB1ADRB3L3MBTL1
SCHEMBL14441351 0.80 ADRB2 (0.67) TSHRLMNAALDH1A1ADRB2ADRB1
SCHEMBL5353531 0.79 TSHR (0.65) TSHRLMNAALDH1A1ADRB2ADRB1
SCHEMBL28932316 0.79 ALDH1A1 (0.57) TSHRLMNAALDH1A1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594966-B Polyamide composite material and preparation method and application thereof 上海金发科技发展有限公司 2024-01-02 — — CN claimed
CN-115594966-A Polyamide composite material and preparation method and application thereof 上海金发科技发展有限公司(CN) 2023-01-13 — — CN claimed
CN-115746549-A Polyamide composition and preparation method and application thereof 江苏金发科技新材料有限公司 2023-03-07 — — CN disclosed
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