SCHEMBL5011771

SCHEMBL5011771

CCCCN(CCCC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2ccc(N(CCCC)CCCC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.49
GRK6 P43250 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
PSMD14 O00487 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 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
SCHEMBL655214 0.94 CNR2 (0.49) CNR2GRK6ALDH1A1TSHREGFR
SCHEMBL5195399 0.89 GRK6 (0.49) CNR2GRK6ALDH1A1TSHRPSMD14
SCHEMBL5499262 0.87 CNR2 (0.55) CNR2ALDH1A1TDP1EGFRERBB2
SCHEMBL10427123 0.87 SLC2A1 (0.49) CNR2ALDH1A1TSHRCYP3A4MAPK1
SCHEMBL80942 0.87 CNR2 (0.44) CNR2GRK6EGFRERBB2
SCHEMBL3901022 0.87 CNR2 (0.44) CNR2GRK6EGFRERBB2
SCHEMBL131813 0.86 ALDH1A1 (0.56) CNR2GRK6ALDH1A1TSHRPSMD14
SCHEMBL6444749 0.84 ALDH1A1 (0.50) CNR2ALDH1A1TSHRPSMD14CYP3A4
SCHEMBL2948653 0.84 ALDH1A1 (0.50) CNR2ALDH1A1TSHRPSMD14CYP3A4
SCHEMBL659228 0.82 CNR2 (0.46) CNR2GRK6ALDH1A1TSHRPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311524-A1 Method For Making Negative-Working Heat-Sensitive Lithographic Printing Plate Precursor AGFA GRAPHICS N.V. (BE) 2008-12-18 US disclosed
EP-0239868-B1 PHOTOCHROMIC SYSTEM, LAYER PREPARED THEREOF AND ITS USE BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed
US-4857438-A Photochromic system and layers produced therewith BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
EP-0239868-A1 Photochromic system, layer prepared thereof and its use BASF Aktiengesellschaft (DE) 1987-10-07 EP disclosed
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
US-4251619-A Process for forming photo-polymeric image KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-02-17 US disclosed