SCHEMBL7829172

SCHEMBL7829172

O=C(O)C1CCC(=O)C1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.47
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
EDNRA P25101 1/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 2/20 0.39
FFAR1 O14842 1/20 0.37
HDAC4 P56524 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ALDH1A1 P00352 1/20 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
SCHEMBL8390909 1.00 MEN1 (0.50) MEN1KMT2AHTTAKR1C3AKR1C1
SCHEMBL5221675 0.82 SLC6A2 (0.49) MEN1KMT2APOLBCYP1A2CYP2D6
SCHEMBL5221669 0.82 SLC6A2 (0.49) MEN1KMT2APOLBCYP1A2CYP2D6
SCHEMBL7576271 0.77 SIGMAR1 (0.54) MEN1KMT2AHTTAKR1C3AKR1C1
SCHEMBL3179826 0.74 TDP1 (0.43) MEN1KMT2AHTTEDNRALMNA
SCHEMBL3180201 0.74 TDP1 (0.43) MEN1KMT2AHTTEDNRALMNA
SCHEMBL5023130 0.74 TDP1 (0.43) MEN1KMT2AHTTEDNRALMNA
SCHEMBL8327879 0.73 SMN1; SMN2 (0.42) MEN1KMT2ALMNASMN1; SMN2DDB1
SCHEMBL10726551 0.73 SMN1; SMN2 (0.42) MEN1KMT2ALMNASMN1; SMN2DDB1
SCHEMBL22831007 0.73 SLC6A2 (0.50) MEN1KMT2APOLBCYP1A2CYP2D6

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 4 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
US-5877191-A ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIHISTAMINES; EMESIS MERCK & CO., INC. (US) 1999-03-02 US disclosed
WO-1998017276-A1 HETEROARYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-04-30 WO disclosed