SCHEMBL16568997

SCHEMBL16568997

CC(C)(Oc1cc(Cl)c(Cl)c(Cl)c1NC(=O)Nc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.44
▸ MEN1 O00255 8/20 0.44
▸ LMNA P02545 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPT P10636 6/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ HTT P42858 3/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40

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
SCHEMBL16568994 0.78 L3MBTL1 (0.53) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL1305530 0.74 PPARA (0.55) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL31296401 0.74 PPARA (0.47) KMT2AMEN1LMNAMAPTCYP3A4
SCHEMBL1304683 0.73 PPARA (0.61) KMT2AMEN1SMN1; SMN2MAPTRAB9A
SCHEMBL1305271 0.72 CA1 (0.58) KMT2AMEN1SMN1; SMN2MAPTRAB9A
SCHEMBL12099902 0.72 DHODH (0.56) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL1304404 0.71 MEN1 (0.49) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL11007336 0.70 KMT2A (0.70) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL6544670 0.70 L3MBTL1 (0.67) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL9561356 0.70 MAPT (0.67) KMT2AMEN1LMNASMN1; SMN2MAPT

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
US-20170332910-A1 MODIFIED PARAMAGNETIC NANOPARTICLES FOR TARGETED DELIVERY OF THERAPEUTICS AND METHODS THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-11-23 — — US disclosed
US-20160346389-A1 MODIFIED PARAMAGNETIC NANOPARTICLES FOR TARGETED DELIVERY OF THERAPEUTICS AND METHODS THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE 2016-12-01 — — US disclosed
WO-2016073348-A1 MODIFIED PARAMAGNETIC NANOPARTICLES FOR TARGETED DELIVERY OF THERAPEUTICS AND METHODS THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2016-05-12 — — WO disclosed
WO-2015038924-A1 MODIFIED PARAMAGNETIC NANOPARTICLES FOR TARGETED DELIVERY OF THERAPEUTICS AND METHODS THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-03-19 — — WO disclosed
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