SCHEMBL6929284

SCHEMBL6929284

CCCC(O)N(OCCO)OCCO

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
AOC3 Q16853 1/20 0.30

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
SCHEMBL6545046 0.82 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL23531037 0.77 TSHR (0.32) TSHRALDH1A1
SCHEMBL6842515 0.75 TSHR (0.31) TSHRALDH1A1
SCHEMBL2058215 0.72 ALDH1A1 (0.32) TSHRALDH1A1MEN1KMT2A
SCHEMBL1243041 0.69 MEN1 (0.44) TSHRALDH1A1LMNAMEN1THRB
SCHEMBL28355332 0.69 MEN1 (0.44) TSHRALDH1A1LMNAMEN1THRB
SCHEMBL79662 0.69 ALDH1A1 (0.33) TSHRALDH1A1MEN1KMT2A
SCHEMBL79154 0.68 ALDH1A1 (0.35) TSHRALDH1A1
Bromide SCHEMBL29074036 0.68
SCHEMBL14252611 0.67

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
EP-1185257-A4 TREATMENT OF ACNE USING LIPOIC ACID PERRICONE NICHOLAS V (US) 2003-04-23 EP disclosed
US-6365623-B1 ANTISCARRING N.V. PERRICONE LLC 2002-04-02 US disclosed
EP-1185257-A2 TREATMENT OF ACNE USING LIPOIC ACID PERRICONE, Nicholas V (US) 2002-03-13 EP disclosed
WO-2001049250-A2 TREATMENT OF ACNE USING LIPOIC ACID PERRICONE NICHOLAS V (US) 2001-07-12 WO disclosed