SCHEMBL6237740

SCHEMBL6237740

CCCC(C)CC(=O)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.46
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 1/20 0.41
FFAR1 O14842 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
ESR1 P03372 1/20 0.39
HIF1A Q16665 1/20 0.39
GPR88 Q9GZN0 8/20 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
SCHEMBL28246517 0.90 ELANE (0.43) ELANEPOLBPPARGPPARA
SCHEMBL28212655 0.89 ALDH1A1 (0.45) ELANEALDH1A1
SCHEMBL8162316 0.88 ELANE (0.42) ELANEALDH1A1LMNACYP19A1FFAR1
SCHEMBL28547262 0.88 ALDH1A1 (0.47) ALDH1A1PPARGPPARA
SCHEMBL27683318 0.87 TRPA1 (0.45) ELANEPOLBALDH1A1LMNACYP19A1
SCHEMBL27765405 0.87 TRPA1 (0.45) ELANEPOLBALDH1A1LMNACYP19A1
SCHEMBL27581241 0.86 ELANE (0.59) ELANEPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL27581304 0.85 ELANE (0.41) ELANEALDH1A1LMNACYP19A1FFAR1
SCHEMBL27498005 0.84 KMT2A (0.49) ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL27899878 0.83 ELANE (0.45) ELANEPOLBALDH1A1LMNASMN1; 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
WO-2005010202-A2 PHENYL ACETIC ACID DERIVATIVES AS HEPATOCYTE NUCLEAR FACTOR 4α (HNF-4α) MODULATOR COMPOUNDS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO claimed
WO-2005010202-A2 PHENYL ACETIC ACID DERIVATIVES AS HEPATOCYTE NUCLEAR FACTOR 4α (HNF-4α) MODULATOR COMPOUNDS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed