SCHEMBL11211286

SCHEMBL11211286

C=C(CCl)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MGLL Q99685 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 3/20 0.32
EPHX1 P07099 1/20 0.31
TSHR P16473 1/20 0.31
NOS2 P35228 1/20 0.31
NAAA Q02083 1/20 0.31
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3605682 0.76 CES2 (0.39) CES2CES1MGLLHDAC8HDAC6
SCHEMBL8464246 0.74 CES2 (0.38) CES2CES1MGLLHDAC8HDAC6
SCHEMBL11210860 0.74 CES2 (0.38) CES2CES1MGLLHDAC8HDAC6
SCHEMBL1000536 0.74 MGLL (0.39) CES2CES1MGLLHDAC8HDAC6
SCHEMBL23547192 0.74 CES2 (0.38) CES2CES1MGLLHDAC8HDAC6
SCHEMBL31402497 0.73 CES2 (0.33) CES2CES1MGLL
SCHEMBL1315866 0.73 CES2 (0.33) CES2CES1MGLL
Hydrochloric Acid SCHEMBL29945534 0.72 CES2 (0.36) CES2CES1MGLLHDAC8HDAC6
SCHEMBL11402454 0.72 EPHX1 (0.39) CES2CES1MGLLHDAC8HDAC6
SCHEMBL951792 0.72 CES2 (0.36) CES2CES1MGLLHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4115635-A Process for the production of poly (allyl halide allyl alcohol) polymer BLOUNT DAVID H 1978-09-19 US claimed
EP-0044832-A4 PRODUCTION OF POLY(POLYISOCYANATE SILICATE)SOLID OR CELLULAR SOLID UTILIZING ALKALI METAL SILICATES. BLOUNT DAVID H 1982-07-06 EP disclosed
EP-0044832-A1 PRODUCTION OF POLY(POLYISOCYANATE SILICATE)SOLID OR CELLULAR SOLID UTILIZING ALKALI METAL SILICATES BLOUNT, David H. (US) 1982-02-03 EP disclosed
WO-1981002300-A1 PRODUCTION OF POLY(POLYISOCYANATE SILICATE)SOLID OR CELLULAR SOLID UTILIZING ALKALI METAL SILICATES BLOUNT D 1981-08-20 WO disclosed
US-4271284-A Process for the production of poly(amine allyl halide halohydrin silicate) copolymer and their reaction products BLOUNT DAVID H 1981-06-02 US disclosed
US-4215203-A Process for the production of poly(amine allyl halide) copolymer and their reaction products BLOUNT DAVID H 1980-07-29 US disclosed
US-4205155-A Process for the production of poly(allyl halide amine silicate) reaction products BLOUNT DAVID H 1980-05-27 US disclosed
US-4201702-A Process to produce allyl halides copolymers BLOUNT DAVID H 1980-05-06 US disclosed
US-4157438-A Process for the production of poly(amine allyl halide) copolymer and their reaction products BLOUNT DAVID H 1979-06-05 US disclosed