SCHEMBL9652135

SCHEMBL9652135

CC(C)(C)c1ccc(O)c(C(C)(C)C)c1C(C)(C)c1c(C(C)(C)C)ccc(O)c1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
ALOX15 P16050 5/20 0.45
TYR P14679 3/20 0.45
LMNA P02545 3/20 0.45
HSD17B10 Q99714 2/20 0.45
NR1I2 O75469 1/20 0.45
CYP2C9 P11712 1/20 0.45
MIF P14174 1/20 0.45
HTT P42858 1/20 0.45
NFE2L2 Q16236 1/20 0.45
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
ATP2A2 P16615 1/20 0.42
ATP2A3 Q93084 1/20 0.42
CA2 P00918 3/20 0.39
HPGD P15428 2/20 0.37

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
SCHEMBL142313 0.91 ALDH1A1 (0.48) ALDH1A1ALOX15TYRLMNAHSD17B10
SCHEMBL30048420 0.91 ALDH1A1 (0.48) ALDH1A1ALOX15TYRLMNAHSD17B10
Ammonia Solution, Strong SCHEMBL478297 0.88 ALDH1A1 (0.46) ALDH1A1ALOX15TYRLMNAHSD17B10
SCHEMBL11198746 0.84 ALDH1A1 (0.41) ALDH1A1ALOX15TYRLMNAHSD17B10
SCHEMBL30027143 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15TYRLMNAHSD17B10
SCHEMBL70068 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15TYRLMNAHSD17B10
Sulfuric Acid SCHEMBL11156266 0.81 ALDH1A1 (0.42) ALDH1A1ALOX15TYRLMNAHSD17B10
Phosphoric Acid SCHEMBL8630742 0.81 ALDH1A1 (0.41) ALDH1A1ALOX15TYRLMNAHSD17B10
SCHEMBL50519 0.79 ALDH1A1 (0.46) ALDH1A1ALOX15TYRLMNAHSD17B10
SCHEMBL30772983 0.79 CA2 (0.52) ALDH1A1ALOX15TYRLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4478989-A TITANIUM TRIHALIDE AND REACTION PRODUCT OF ORGANOALUMINUM COMPOUND AND AROMATIC HYDROXY COMPOUND SHELL OIL COMPANY (US) 1984-10-23 US claimed
EP-0261727-B1 CATALYTIC SOLID TO BE USED IN STEREOSPECIFIC POLYMERIZATION OF ALPHA-OLEFINS, PROCESS FOR ITS PREPARATION AND PROCESS FOR POLYMERIZING ALPHA-OLEFINS IN ITS PRESENCE SOLVAY (BE) 1992-12-02 EP disclosed
EP-0261727-A1 Catalytic solid to be used in stereospecific polymerization of alpha-olefins, process for its preparation and process for polymerizing alpha-olefins in its presence SOLVAY (BE) 1988-03-30 EP disclosed
US-4600757-A TITANIUM CHLORIDE CATALYST, ALUMINUM-PHENOL ACTIVATOR SHELL OIL COMPANY (US) 1986-07-15 US disclosed
EP-0021478-B1 A PROCESS FOR THE STEREOSPECIFIC POLYMERIZATION OF AN ALPHA-OLEFIN AND AN ALPHA-OLEFIN POLYMERIZATION CATALYST SYSTEM SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-07-17 EP disclosed
US-4478989-A TITANIUM TRIHALIDE AND REACTION PRODUCT OF ORGANOALUMINUM COMPOUND AND AROMATIC HYDROXY COMPOUND SHELL OIL COMPANY (US) 1984-10-23 US disclosed
EP-0107871-A1 Process for the preparation of polyisoprene SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-05-09 EP disclosed
EP-0021478-A1 A process for the stereospecific polymerization of an alpha-olefin and an alpha-olefin polymerization catalyst system SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-01-07 EP disclosed