SCHEMBL9345266

SCHEMBL9345266

C#CCOC(=O)Oc1ccc(Oc2ccc(OC(=O)OCC#C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
ELANE P08246 1/20 0.41
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MMP14 P50281 3/20 0.40
MMP8 P22894 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP16 Q8N5Y8 1/20 0.36
PARP11 Q9NR21 1/20 0.36

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
SCHEMBL9344775 0.89 NPC1 (0.47) NPC1CA12CA1CA2CA9
SCHEMBL17264967 0.87 NPC1 (0.46) NPC1CA12CA1CA2CA9
SCHEMBL9346107 0.85 ELANE (0.50) NPC1ELANECA12CA1CA2
SCHEMBL28550850 0.85 NPC1 (0.44) NPC1ELANEMMP9CA1CA2
SCHEMBL17264966 0.85 LMNA (0.50) NPC1ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL9344732 0.85 ELANE (0.47) NPC1ELANECA12CA1CA2
SCHEMBL28559769 0.85 NPC1 (0.44) NPC1ELANECA12CA1CA2
SCHEMBL576653 0.85 NPC1 (0.56) NPC1CA12CA1CA2CA9
SCHEMBL9346469 0.84 NPC1 (0.43) NPC1CA12CA1CA2CA9
SCHEMBL9345171 0.84 ELANE (0.46) NPC1ELANECA12CA1CA2

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 6 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 claimed
EP-0457334-A1 Carbonates of acetylenic alcohols NIPPON PAINT CO., LTD. (JP) 1991-11-21 EP claimed
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