SCHEMBL5575276

SCHEMBL5575276

CCCCCCOOC(=O)c1ccccc1C(=O)OOCCCCCC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.70
▸ TSHR P16473 5/20 0.70
▸ LMNA P02545 3/20 0.70
▸ CYP3A4 P08684 4/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ TP53 P04637 1/20 0.67
▸ L3MBTL1 Q9Y468 3/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ MAPT P10636 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ NR1I2 O75469 1/20 0.54
▸ CHRM2 P08172 1/20 0.54
▸ ADRA2A P08913 1/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL5072717 0.93 TSHR (0.68) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27545209 0.91 ALDH1A1 (0.58) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27825328 0.91 ALDH1A1 (0.58) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28450048 0.91 ALDH1A1 (0.58) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL20503336 0.91 ALDH1A1 (0.58) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27821802 0.91 ALDH1A1 (0.58) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27880352 0.89 TSHR (0.57) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL10622538 0.89 TSHR (0.57) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28126578 0.89 ALDH1A1 (0.56) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL15264948 0.87 TSHR (0.81) ALDH1A1TSHRLMNACYP3A4MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7249723-B2 Organic solvent dispersed nano-talc slurry NGX, INC. (US) 2007-07-31 — — US disclosed
WO-2007024252-A2 ORGANIC SOLVENT DISPERSED NANO-TALC SLURRY NANOMAT, INC. (US) 2007-03-01 — — WO disclosed
US-20060086837-A1 Dry milling talc powder, mixing the dry-milled nano-talc powder with an organic solvent andwet milling the nano-talc-solvent mix NGX, INC. 2006-04-27 — — US disclosed
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