SCHEMBL8668642

SCHEMBL8668642

COc1ccccc1C(=O)O.O=C(O)c1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
HTT P42858 3/20 0.64
HPGD P15428 4/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 2/20 0.53
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
GGT1 P19440 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CES2 O00748 1/20 0.53

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
SCHEMBL29365231 0.89 HTT (0.78) ALDH1A1HTTHPGDRAB9AKDM4E
SCHEMBL3527 0.89 HTT (0.78) ALDH1A1HTTHPGDRAB9AKDM4E
SCHEMBL10404879 0.87 HTT (0.75) ALDH1A1HTTHPGDRAB9AKDM4E
Fluoride SCHEMBL3190250 0.87 HTT (0.75) ALDH1A1HTTHPGDRAB9AKDM4E
Hydrochloric Acid SCHEMBL4236548 0.87 HTT (0.75) ALDH1A1HTTHPGDRAB9AKDM4E
Bicarbonate SCHEMBL238308 0.87 HTT (0.75) ALDH1A1HTTHPGDRAB9AKDM4E
Phthalic Acid SCHEMBL8680432 0.87 HTT (0.75) ALDH1A1HTTHPGDRAB9AKDM4E
Bicarbonate SCHEMBL21517635 0.87 HTT (0.75) ALDH1A1HTTHPGDRAB9AKDM4E
Ammonia Solution, Strong SCHEMBL22437491 0.87 HTT (0.75) ALDH1A1HTTHPGDRAB9AKDM4E
Bicarbonate SCHEMBL29943714 0.87 HTT (0.75) ALDH1A1HTTHPGDRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0881205-A1 Method for production of allyloxystyrene compounds LOCTITE CORPORATION (US) 1998-12-02 EP disclosed
US-5633411-A Method for production of allyloxystyrene compounds LOCTITE CORPORATION (US) 1997-05-27 US disclosed