SCHEMBL11091632

SCHEMBL11091632

C=CCC(OC)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 4/20 0.53
▸ TSHR P16473 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HTT P42858 1/20 0.46
▸ SRC P12931 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KCNN4 O15554 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ AKT1 P31749 2/20 0.37
▸ CES2 O00748 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL9749783 0.88 ALDH1A1 (0.51) CES1TSHRALDH1A1HTTSRC
SCHEMBL11775673 0.86 ALDH1A1 (0.57) CES1TSHRALDH1A1HTTKMT2A
SCHEMBL11098719 0.85 ALDH1A1 (0.46) CES1TSHRALDH1A1HTTSRC
SCHEMBL13260805 0.84 ALDH1A1 (0.47) CES1TSHRALDH1A1HTTSRC
SCHEMBL11779225 0.83 ALDH1A1 (0.50) CES1TSHRALDH1A1HTTKMT2A
Methoxymethane SCHEMBL9749754 0.83 TSHR (0.50) CES1TSHRALDH1A1HTTSRC
SCHEMBL36097 0.81 CES1 (0.59) CES1TSHRHTTSRCKMT2A
SCHEMBL10456740 0.81 CES1 (0.59) CES1TSHRALDH1A1SRCKCNN4
SCHEMBL6450310 0.80 CES1 (0.48) CES1TSHRALDH1A1HTTSRC
SCHEMBL197860 0.79 ALDH1A1 (0.56) CES1TSHRALDH1A1HTTSRC

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-4086299-A WITH UNSATURATED CARBOXY ACID ICI AUSTRALIA LIMITED (AU) 1978-04-25 — — US claimed
EP-0129443-A2 Curable compositions containing photoinitiators LOCTITE CORPORATION (US) 1984-12-27 — — EP disclosed
US-4477326-A ULTRAVIOLET - CURABLE MIXTURE OF AN A-ALLYLBENZOIN ETHER-MODIFIED POLYSILOXANE AND UNSATURATED MONOMER; COATINGS LOCTITE CORPORATION (US) 1984-10-16 — — US disclosed
US-4134815-A Amphoteric composite resins and method of preparing same by polymerization of a two-phase dispersion of monomers ICI AUSTRALIA LIMITED (AU) 1979-01-16 — — US disclosed
US-4102762-A POLYMERIZATION OF UNSATURATED CARBOXYLIC ACID MONOMER AND A CROSSLINKING AGENT ICI AUSTRALIA LIMITED AND COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1978-07-25 — — US disclosed
US-4086299-A WITH UNSATURATED CARBOXY ACID ICI AUSTRALIA LIMITED (AU) 1978-04-25 — — US disclosed
US-3990958-A Radiation polymerization of triallylamines using a non-polar, non-hydroxylic solvent ICI AUSTRALIA LIMITED (AU) 1976-11-09 — — US disclosed
Send feedback