SCHEMBL8982046

SCHEMBL8982046

O=C(Cl)CCC(=O)c1ccc(C(=O)c2ccc(C(=O)CCC(=O)Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ NR4A2 P43354 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LMNA P02545 3/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ APEX1 P27695 1/20 0.43

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
SCHEMBL8834212 0.82 NR4A2 (0.68) KMT2ARAB9ANPC1NR4A2SMN1; SMN2
SCHEMBL16552727 0.73 GSK3B (0.70) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL7701624 0.72 KMT2A (0.35) KMT2ARAB9ANPC1NR4A2SMN1; SMN2
SCHEMBL15094064 0.71 NR4A2 (0.65) KMT2ARAB9ANR4A2SMN1; SMN2HSD17B10
SCHEMBL4476891 0.71 NR4A2 (0.65) KMT2ARAB9ANPC1NR4A2SMN1; SMN2
SCHEMBL27983192 0.71 NPC1 (0.81) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL271455 0.70 MEN1 (0.52) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL28594420 0.70 TSHR (0.67) KMT2ARAB9ANPC1NR4A2SMN1; SMN2
SCHEMBL7939950 0.70 NPC1 (0.81) RAB9ANPC1LMNAALDH1A1GAA
SCHEMBL10353454 0.70 NR4A2 (0.81) KMT2ARAB9ANPC1NR4A2SMN1; 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-0712506-A1 MUTABLE COMPOSITION AND METHODS OF USE THEREOF KIMBERLY-CLARK CORPORATION (US) 1996-05-22 — — EP disclosed
WO-1995004955-A1 MUTABLE COMPOSITION AND METHODS OF USE THEREOF KIMBERLY-CLARK CORPORATION (US) 1995-02-16 — — WO disclosed
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