SCHEMBL7797988

SCHEMBL7797988

O=C(Cc1ccccc1)ONc1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
P2RX7 Q99572 2/20 0.47
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PAM P19021 1/20 0.45
TTR P02766 2/20 0.44
AKR1B10 O60218 1/20 0.44
UGT1A9 O60656 1/20 0.44
TRPA1 O75762 1/20 0.44
ABCB11 O95342 1/20 0.44
MT-CO2 P00403 1/20 0.44
ALB P02768 1/20 0.44
CXCL8 P10145 1/20 0.44
UGT1A6 P19224 1/20 0.44
UGT1A1 P22309 1/20 0.44
PTGS1 P23219 1/20 0.44
CXCR1 P25024 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL11408628 0.98 HTT (0.47) HTTTDP1P2RX7MAPK1ALDH1A1
Acetic Acid SCHEMBL28825732 0.95 HTT (0.45) HTTTDP1P2RX7MAPK1ALDH1A1
SCHEMBL27595528 0.90 HTT (0.43) HTTTDP1P2RX7MAPK1ALDH1A1
SCHEMBL28049411 0.82 P2RX7 (0.52) TDP1P2RX7MAPK1ADRA1ASMN1; SMN2
SCHEMBL11572663 0.80 TTR (0.53) MAPK1TTRAKR1B10UGT1A9TRPA1
SCHEMBL4414928 0.78 ALDH1A1 (0.53) MAPK1ALDH1A1L3MBTL1PAMSMN1; SMN2
SCHEMBL7759545 0.77 HTT (0.45) HTTTDP1P2RX7MAPK1ALDH1A1
SCHEMBL2906104 0.75 TSHR (0.49) HTTTDP1P2RX7MAPK1ALDH1A1
SCHEMBL27937500 0.75 EPHX2 (0.59) P2RX7MAPK1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL28214814 0.75 KMT2A (0.50) P2RX7ALDH1A1L3MBTL1TTRAKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55045615-A None JP disclosed
CN-108191846-A High-penetration composition and its application 于崇曦 2018-06-22 CN disclosed
CN-107929743-A Treat the high penetrating power prodrugs composition and medical composition of pulmonary disease 苏州泰飞尔医药有限公司 2018-04-20 CN disclosed
CN-107320732-A High-penetration composition and its application 于崇曦 2017-11-07 CN disclosed
CN-104173321-B The method for preparing pharmaceutical composition being administered by external use plaster, with anti-inflammatory analgesic activity, and the composition obtained with this 阿尔特根有限公司 2017-10-31 CN disclosed
CN-107261149-A High-penetration composition and its application 于崇曦 2017-10-20 CN disclosed
CN-104974058-A Positively-charged water-soluble diclofenac prodrugs with high skin penetration velocity YU CHONGXI 2015-10-14 CN disclosed
CN-1356981-A Pharmaceutical compounds NICOX SA (FR) 2002-07-03 CN disclosed
EP-1159009-A2 USE OF NIAOULI ESSENTIAL OIL AS TRANSDERMAL PERMEATION ENHANCER FARMIGEA S.P.A. (IT) 2001-12-05 EP disclosed
WO-2000053228-A2 USE OF NIAOULI ESSENTIAL OIL AS TRANSDERMAL PERMEATION ENHANCER FARMIGEA S.P.A. (IT) 2000-09-14 WO disclosed
US-4704468-A Esters of O(2,6-dichlorophenylamino) phenylacetic acid T P O "PHARMACHIM" (BG) 1987-11-03 US disclosed
JP-S5545615-A DERIVATIVE OF (N-ALLYL-O-(2,6-DICHLOROANILINO) PHENYL) ACETIC ACID NISSAN CHEM IND LTD 1980-03-31 JP disclosed
US-4189595-A [N-benzyl-o-(2,6-dichloroanilino)phenyl]acetic acid derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1980-02-19 US disclosed