SCHEMBL7825874

SCHEMBL7825874

Cc1[nH]c(C)c(-c2ccc(C(=O)O)cc2)c1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.45
ALDH1A1 P00352 3/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
TOP1 P11387 3/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
ERN1 O75460 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYCS P99999 2/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
GPR35 Q9HC97 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7298629 0.81 LMNA (0.51) ALDH1A1POLBKMT2ALMNASMN1; SMN2
SCHEMBL5399079 0.79 ALDH1A1 (0.47) TTRALDH1A1RXRARXRBTOP1
SCHEMBL6465905 0.75 ALDH1A1 (0.75) TTRALDH1A1RXRARXRBTOP1
SCHEMBL6464286 0.72 KMT2A (0.50) TTRALDH1A1TOP1POLBKMT2A
SCHEMBL24733376 0.70 ALDH1A1 (0.58) TTRALDH1A1RXRARXRBPOLB
SCHEMBL29558263 0.70 ALDH1A1 (0.58) TTRALDH1A1RXRARXRBPOLB
SCHEMBL29624164 0.70 ALDH1A1 (0.58) TTRALDH1A1RXRARXRBPOLB
SCHEMBL2219516 0.70 KDM4E (0.54) ALDH1A1POLBKMT2ALMNAKDM4E
SCHEMBL11219580 0.70 TSHR (0.71) TTRALDH1A1RXRARXRBTOP1
SCHEMBL5401610 0.68 TTR (0.49) TTRALDH1A1RXRARXRBTOP1

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