SCHEMBL7826487

SCHEMBL7826487

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.42
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
PRSS1 P07477 2/20 0.36
CTSG P08311 2/20 0.36
CTRB1 P17538 2/20 0.36
CMA1 P23946 2/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL7826479 0.80 HDAC11 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29517193 0.77 LMNA (0.46) MEN1KMT2AKDM4EALDH1A1
SCHEMBL27434544 0.77 LMNA (0.46) MEN1KMT2AKDM4EALDH1A1
SCHEMBL4646095 0.75 KCNN4 (0.47) KCNN4PRSS1CTSGCTRB1CMA1
SCHEMBL8432615 0.73 ALDH1A1 (0.47) PRSS1PPARGPPARAMEN1KMT2A
SCHEMBL8880188 0.73 OPRM1 (0.41) KCNN4KMT2AKDM4EOPRM1KCNH2
SCHEMBL27914706 0.73 LMNA (0.42) KDM4EALDH1A1
SCHEMBL29184097 0.73 LMNA (0.42) KDM4EALDH1A1
SCHEMBL27711277 0.73 LMNA (0.55) MEN1KMT2AKDM4EALDH1A1
SCHEMBL4644357 0.71 KCNN4 (0.50) KCNN4PRSS1CTSGCTRB1CMA1

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed