SCHEMBL9017221

SCHEMBL9017221

C=C(C)c1ccc(C(C)(C)C)cc1.C=C(C)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 2/20 0.49
KCNK9 Q9NPC2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SRD5A2 P31213 1/20 0.47
TNF P01375 1/20 0.46
KLF5 Q13887 1/20 0.46
NOD1 Q9Y239 1/20 0.46
RAB9A P51151 5/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.44
HDAC1 Q13547 1/20 0.44
NPC1 O15118 5/20 0.44
ALDH1A1 P00352 3/20 0.44
ESRRG P62508 2/20 0.44
RECQL P46063 1/20 0.44
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
TYR P14679 1/20 0.43
MAPK1 P28482 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
SCHEMBL465848 0.91 TSHR (0.52) MAPTSRD5A2RAB9ALMNATSHR
SCHEMBL8520583 0.86 ESRRG (0.47) L3MBTL1MAPTKCNK9TDP1SRD5A2
SCHEMBL13747948 0.86 RAB9A (0.41) L3MBTL1MAPTKCNK9TDP1SRD5A2
SCHEMBL6547689 0.85 MEN1 (0.53) L3MBTL1MAPTKCNK9TDP1SRD5A2
SCHEMBL10530917 0.83 TRPV1 (0.41) L3MBTL1MAPTKCNK9TDP1SRD5A2
SCHEMBL472891 0.82 CES2 (0.48) MAPTLMNATSHRALDH1A1MEN1
SCHEMBL2905282 0.82
Hydrogen Peroxide SCHEMBL7249472 0.82 CES2 (0.48) MAPTLMNATSHRALDH1A1MEN1
SCHEMBL6577 0.82
Benzene SCHEMBL28197619 0.82 CES2 (0.48) MAPTLMNATSHRALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552797-B1 Reactivation of hydroformylation catalysts UNION CARBIDE CHEM PLASTIC (US) 1996-03-27 EP disclosed
EP-0552797-A1 Reactivation of hydroformylation catalysts UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-07-28 EP disclosed
EP-0357997-B1 REACTIVATION OF HYDROFORMYLATION CATALYSTS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (a New York corporation) (US) 1992-11-25 EP disclosed
EP-0357997-A1 Reactivation of hydroformylation catalysts UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (a New York corporation) (US) 1990-03-14 EP disclosed