SCHEMBL7814269

SCHEMBL7814269

CC(C)(C)C(=O)c1ccc(C(=O)CCC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.63
▸ NR4A2 P43354 1/20 0.59
▸ USP5 P45974 1/20 0.58
▸ CYP1A2 P05177 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ FFAR1 O14842 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ MMP2 P08253 2/20 0.49
▸ MMP12 P39900 2/20 0.49
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 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
SCHEMBL10353454 0.83 NR4A2 (0.81) KMT2ANR4A2USP5CYP1A2SMN1; SMN2
SCHEMBL2051247 0.81 KMT2A (0.63) KMT2ANR4A2USP5CYP1A2SMN1; SMN2
SCHEMBL11884571 0.79 NR1H4 (0.55) FFAR1LMNAL3MBTL1ALDH1A1HSD17B10
SCHEMBL10031827 0.78 PGR (0.47) SMN1; SMN2LMNAL3MBTL1ALDH1A1HDAC1
SCHEMBL822930 0.78 KMT2A (1.00) KMT2ANR4A2USP5CYP1A2SMN1; SMN2
SCHEMBL16922187 0.78 KMT2A (1.00) KMT2ANR4A2USP5CYP1A2SMN1; SMN2
Succinic Acid SCHEMBL8467793 0.78 KMT2A (1.00) KMT2ANR4A2USP5CYP1A2SMN1; SMN2
SCHEMBL5972998 0.78 MAPT (0.53) KMT2ASMN1; SMN2RAB9AL3MBTL1ALDH1A1
SCHEMBL29048455 0.78 KMT2A (0.70) KMT2ANR4A2USP5CYP1A2SMN1; SMN2
SCHEMBL8206307 0.77 NR4A2 (0.71) KMT2ANR4A2USP5CYP1A2SMN1; SMN2

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
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