SCHEMBL9508355

SCHEMBL9508355

CC(C)(COOCC(C)(C)c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
KCNN4 O15554 3/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CYP3A4 P08684 1/20 0.38
SHBG P04278 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL42638 0.87 TAAR1 (0.58) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL31055611 0.87 TAAR1 (0.48) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL12599027 0.85 MAPK1 (0.61) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL8278933 0.83 TAAR1 (0.54) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL7597865 0.81 TAAR1 (0.52) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL109031 0.81 TAAR1 (0.52) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL5906803 0.80 MAPK1 (0.48) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL24385738 0.79 MAPK1 (0.54) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL7596685 0.79 TAAR1 (0.50) TAAR1MAPK1ALDH1A1ALOX15CYP2C19
SCHEMBL7591920 0.79 TAAR1 (0.50) TAAR1MAPK1ALDH1A1ALOX15CYP2C19

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-4943616-A LEWIS ACID AND PEROXIDE, ISOBUTYLENE POLYSAR LIMITED (CA) 1990-07-24 US claimed
US-4908421-A Charging isobutylene, organic peroxy compound, Lewis acid to reaction vessel, polymerizing POLYSAR LIMITED (CA) 1990-03-13 US claimed
EP-0355997-B1 POLYMERISATION PROCESS AND CATALYST SYSTEM THEREFOR POLYSAR LIMITED (CA) 1993-09-15 EP disclosed
US-4943616-A LEWIS ACID AND PEROXIDE, ISOBUTYLENE POLYSAR LIMITED (CA) 1990-07-24 US disclosed
US-4908421-A Charging isobutylene, organic peroxy compound, Lewis acid to reaction vessel, polymerizing POLYSAR LIMITED (CA) 1990-03-13 US disclosed
EP-0355997-A2 Polymerisation process and catalyst system therefor POLYSAR LIMITED (CA) 1990-02-28 EP disclosed
EP-0060356-A1 Composite building panel LINX BUILDING SYSTEMS CORPORATION (US) 1982-09-22 EP disclosed
US-4327536-A Composite building panel LINX BUILDING SYSTEMS CORP. (US) 1982-05-04 US disclosed