SCHEMBL8762009

SCHEMBL8762009

CCCCCCC(OC(=O)[C@@H]1CCC(=O)N1)C(=O)OCCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
DAGLA Q9Y4D2 1/20 0.54
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
NAAA Q02083 3/20 0.34
TSHR P16473 1/20 0.34
CCR2 P41597 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
POLB P06746 1/20 0.32
PRKCA P17252 3/20 0.32

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
SCHEMBL8762027 0.95 CNR1 (0.54) CNR1DAGLALMNAGAANAAA
SCHEMBL7638305 0.95 CNR1 (0.54) CNR1DAGLALMNAGAANAAA
SCHEMBL8748644 0.95 CNR1 (0.54) CNR1DAGLALMNAGAANAAA
SCHEMBL8749158 0.92 CNR1 (0.55) CNR1DAGLALMNAGAANAAA
SCHEMBL8749203 0.92 CNR1 (0.55) CNR1DAGLALMNAGAANAAA
SCHEMBL8749222 0.91 CNR1 (0.53) CNR1DAGLALMNAGAANAAA
SCHEMBL8749002 0.88 CNR1 (0.54) CNR1DAGLALMNAGAANAAA
SCHEMBL9511146 0.87 CNR1 (0.57) CNR1DAGLALMNAGAACCR2
SCHEMBL10603876 0.87 CNR1 (0.57) CNR1DAGLALMNAGAACCR2
SCHEMBL9221490 0.87 CNR1 (0.57) CNR1DAGLALMNAGAACCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277428-B1 Cosmetic composition UNILEVER PLC (GB) 1994-03-23 EP claimed
EP-0176217-B1 PYROGLUTAMIC ACID ESTERS, THEIR SYNTHESIS AND USE IN TOPICAL PRODUCTS UNILEVER PLC (GB) 1989-06-07 EP claimed
EP-0446047-B1 Benzisothiazolinone-1-dioxide derivatives as elastase inhibitors UNILEVER PLC (GB) 1997-06-11 EP disclosed
US-5411978-A Aging resistance, human skin CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1995-05-02 US disclosed
US-5338747-A Benzoisothiazolinone-1-dioxide derivatives as elastase inhibitors CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1994-08-16 US disclosed
EP-0446047-A1 Benzisothiazolinone-1-dioxide derivatives as elastase inhibitors UNILEVER PLC (GB) 1991-09-11 EP disclosed