SCHEMBL4459027

SCHEMBL4459027

CC(=O)OC(C)(C)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
TSHR P16473 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
MMP13 P45452 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL305335 0.91 ALDH1A1 (0.39) LMNATSHRMAPTALDH1A1GAA
SCHEMBL4185138 0.85 KIF11 (0.39) TSHRMAPTALDH1A1GAASMN1; SMN2
SCHEMBL26059369 0.83 ESR1 (0.48) LMNATSHRALDH1A1HPGD
SCHEMBL24506162 0.83 TSHR (0.44) LMNATSHRNPC1RAB9AMAPT
SCHEMBL26505295 0.82 TSHR (0.40) LMNATSHRNPC1RAB9AMAPT
SCHEMBL18910987 0.82 CYP2A6 (0.43) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL9136358 0.82 TSHR (0.43) LMNATSHRNPC1RAB9AMAPT
SCHEMBL25563980 0.82 SMN1; SMN2 (0.44) LMNANPC1RAB9AMAPTCES2
SCHEMBL18905281 0.82 CYP2C19 (0.34) TSHRALDH1A1GAAHDAC1HPGD
SCHEMBL25563983 0.82 CES2 (0.47) MAPTALDH1A1CES2CES1HDAC1

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
US-20170154766-A1 SILICON-CONTAINING CONDENSATE, COMPOSITION FOR FORMING A SILICON-CONTAINING RESIST UNDER LAYER FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-01 US disclosed
EP-2094639-A2 PROCESS FOR MAKING TERPENE ESTERS Millennium Specialty Chemicals, Inc. (US) 2009-09-02 EP disclosed
WO-2008069918-A2 PROCESS FOR MAKING TERPENE ESTERS MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2008-06-12 WO disclosed
US-7355066-B1 Process for making terpene esters MILLENIUM SPECIALTY CHEMICALS, INC. (US) 2008-04-08 US disclosed