SCHEMBL8980208

SCHEMBL8980208

[C-]#[N+]c1ccc(OC)cc1.[Rh]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA9 Q16790 3/20 0.55
CA7 P43166 2/20 0.55
CA12 O43570 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ACHE P22303 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL377256 0.97 CA1 (0.58) CA1CA2CA9CA7CA12
SCHEMBL3139320 0.95 CA1 (0.55) CA1CA2CA9CA7CA12
SCHEMBL12619982 0.82 CA1 (0.41) CA1CA2CA9CA7CA12
SCHEMBL12786310 0.82 RXFP1 (0.59) CA1CA2MAPK1ALDH1A1LMNA
SCHEMBL13338785 0.79 SLC2A1 (0.43) CA1CA2CA9CA7CA12
SCHEMBL11604292 0.76 ALDH1A1 (0.41) CA1CA2CA9TDP1CYP3A4
SCHEMBL409015 0.74 HDAC3 (0.32)
1,4-Dimethoxybenzene SCHEMBL21802643 0.74 CA1 (1.00) CA1CA2CA9CA7CA12
1,4-Dimethoxybenzene SCHEMBL8489 0.74 CA1 (1.00) CA1CA2CA9CA7CA12
SCHEMBL16202955 0.74 CA1 (0.61) CA1CA2CA9CA7CA12

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
US-5563290-A Method for preparing optically active succinic acid compound NIPPON OIL CO. LTD. (JP) 1996-10-08 US claimed
US-5563290-A Method for preparing optically active succinic acid compound NIPPON OIL CO. LTD. (JP) 1996-10-08 US disclosed
EP-0663382-A1 Process for preparing optically active succinic acid compound NIPPON OIL CO. LTD. (JP) 1995-07-19 EP disclosed