SCHEMBL9153395

SCHEMBL9153395

CCNc1ccc(C(O)(C(=O)O)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 2/20 0.42
▸ ADRA2A P08913 4/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ HTT P42858 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ XBP1 P17861 1/20 0.35

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
SCHEMBL9153428 0.79 POLB (0.53) MAPTEPHX2HTTFFAR1CA1
Oxalic Acid SCHEMBL9716123 0.78 LMNA (0.55) LMNAMAPTADRA2AADRA2BADRA2C
SCHEMBL9153014 0.77 CA12 (0.47) LMNAEPHX2NR1H4FFAR1CA1
Acetic Acid SCHEMBL29202236 0.76 EPHX2 (0.52) LMNAEPHX2HTTL3MBTL1FFAR1
SCHEMBL18156890 0.76 ADRA2A (0.46) LMNAMAPTADRA2AADRA2BADRA2C
SCHEMBL8434483 0.76 VDR (0.49) LMNAMAPTNR1H4HTTMEN1
SCHEMBL9154932 0.76 ALDH1A1 (0.58) CYP2C9CYP2D6HIF1AEPHX2NR1H4
SCHEMBL18171766 0.72 LMNA (0.50) LMNAMAPTADRA2AADRA2BADRA2C
SCHEMBL28670574 0.72 LMNA (0.50) LMNAMAPTADRA2AADRA2BADRA2C
SCHEMBL455156 0.72 HCAR3 (0.55) LMNAMAPTADRA2AADRA2BADRA2C

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-0363034-B1 Polycyclic dyes ZENECA LTD (GB) 1995-01-04 — — EP disclosed
EP-0605404-A2 Polycyclic dyes ZENECA LIMITED (GB) 1994-07-06 — — EP disclosed
US-5212313-A For polyester IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-18 — — US disclosed
US-5183888-A Reacting a phenyl tartronic acid with a dihydrobenzofuran, oxidizing, to get dihydrobenzodifuran IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-02 — — US disclosed
US-5084580-A Aniline dyes for polyester fabrics to give green and blue color IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-28 — — US disclosed
EP-0363034-A2 Polycyclic dyes ZENECA LIMITED (GB) 1990-04-11 — — EP disclosed
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