SCHEMBL9349744

SCHEMBL9349744

C#CCOC(=O)Oc1ccc(Cc2ccc(OC(=O)OCC#C)cc2C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.38
MTNR1A P48039 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GSTP1 P09211 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ACHE P22303 1/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
RXRA P19793 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
NR3C2 P08235 1/20 0.34
CA2 P00918 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL17355750 0.84 MAOA (0.42) KMT2ANPC1L3MBTL1TDP1MAOA
SCHEMBL9349409 0.82 ATM (0.41) NPC1MTNR1AGSTP1MAOAMAOB
SCHEMBL17264966 0.78 LMNA (0.50) KMT2ANPC1L3MBTL1TSHRALDH1A1
SCHEMBL9344603 0.76 NPC1 (0.43) KMT2ANPC1MTNR1AL3MBTL1TDP1
SCHEMBL17022741 0.75 NPC1 (0.47) NPC1GSTP1TSHRALDH1A1POLB
SCHEMBL28559758 0.75 CA12 (0.46) KMT2ANPC1MAOAMAOBACHE
SCHEMBL9344732 0.74 ELANE (0.47) KMT2ANPC1L3MBTL1TDP1TSHR
SCHEMBL28550850 0.74 NPC1 (0.44) NPC1MTNR1AMAOAMAOBALDH1A1
SCHEMBL14775186 0.74 KMT2A (0.43) KMT2ANPC1L3MBTL1TDP1ACHE
SCHEMBL9344775 0.74 NPC1 (0.47) KMT2ANPC1GSTP1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457334-B1 Carbonates of acetylenic alcohols NIPPON PAINT CO LTD (JP) 1994-08-10 EP disclosed
US-5258542-A Carbonates of acetylenic alcohols NIPPON PAINT CO., LTD. (JP) 1993-11-02 US disclosed
US-5194653-A Useful in making heat resistant liquid crystalline polymers NIPPON PAINT COMPANY, LIMITED (JP) 1993-03-16 US disclosed
EP-0457334-A1 Carbonates of acetylenic alcohols NIPPON PAINT CO., LTD. (JP) 1991-11-21 EP disclosed