SCHEMBL11275262

SCHEMBL11275262

CCN(CC)c1ccc(C)c(C(c2ccc(C(=O)O)cc2)c2cc(N(CC)CC)ccc2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 2/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
MDM2 Q00987 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
TNNI3 P19429 1/20 0.43
TNNT2 P45379 1/20 0.43
TNNC1 P63316 1/20 0.43
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40

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
SCHEMBL11275251 0.89 MEN1 (0.43) CNR2ALDH1A1TSHRL3MBTL1POLB
SCHEMBL5007900 0.85 GRK6 (0.48) CNR2ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL5665534 0.84 CNR2 (0.47) CNR2ALDH1A1TSHRMEN1KMT2A
SCHEMBL10828429 0.83 NPY1R (0.42) CNR2ALDH1A1TSHRMEN1KMT2A
SCHEMBL5554872 0.83 ALDH1A1 (0.44) CNR2ALDH1A1TSHRKMT2AMAPT
Oxalic Acid SCHEMBL238206 0.83 S100B (0.45) CNR2ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL237533 0.83 S100B (0.45) CNR2ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL18709086 0.82 ALDH1A1 (0.54) CNR2ALDH1A1TSHRL3MBTL1POLB
SCHEMBL11520124 0.82 GRK6 (0.48) CNR2ALDH1A1TSHRL3MBTL1MAPT
SCHEMBL5667453 0.82 CNR2 (0.42) CNR2ALDH1A1TSHRL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed