SCHEMBL6653048

SCHEMBL6653048

CC(C)OC(=O)c1ccc2cc(O)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.68
CA1 P00915 6/20 0.68
CA2 P00918 6/20 0.68
CA7 P43166 6/20 0.68
CA9 Q16790 6/20 0.68
CA14 Q9ULX7 6/20 0.68
KMT2A Q03164 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.54
PTPN11 Q06124 1/20 0.51
HSP90AA1 P07900 1/20 0.51
CLK1 P49759 1/20 0.49
DYRK1A Q13627 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL707094 0.91 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL8041186 0.85 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL27937353 0.85 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL23997992 0.84 NPC1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL28290879 0.84 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL6648695 0.82 PTPN1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL14996411 0.82 PTPN1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL6547163 0.82 KMT2A (0.53) CA12CA1CA2CA7CA9
Isopropyl 4-Hydroxybenzoate SCHEMBL34494 0.81 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL7949384 0.81 CA12 (0.59) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104768914-A Method for producing 6,6'-(ethylenedioxy)di-2-naphthoic acid diester TEIJIN LTD 2015-07-08 CN disclosed
EP-1120399-B1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2004-06-09 EP disclosed
EP-1120400-B1 Naphtahlene compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2003-09-24 EP disclosed
EP-0757032-B1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2001-12-12 EP disclosed
EP-1120399-A1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same Mitsui Chemicals, Inc. (JP) 2001-08-01 EP disclosed
EP-1120400-A1 Naphtahlene compound, and liquid crystal composition and liquid crystal element using the same Mitsui Chemicals, Inc. (JP) 2001-08-01 EP disclosed
US-5861108-A IMPROVES HIGH SPEED RESPONSE PROPERTY AND TEMPERATURE DEPENDENCY OF THE RESPONSE TIME MITSUI CHEMICALS, INC. (JP) 1999-01-19 US disclosed
EP-0757032-A2 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-02-05 EP disclosed
US-4542203-A Method for producing branched aromatic polyesters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-17 US disclosed