SCHEMBL6924030

SCHEMBL6924030

O=C(Cl)CCCCCCCF

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TSHR P16473 3/20 0.56
TP53 P04637 1/20 0.48
LMNA P02545 3/20 0.36
NFKB1 P19838 2/20 0.36
PMP22 Q01453 1/20 0.36
MEN1 O00255 1/20 0.35
PLG P00747 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
SLC6A2 P23975 1/20 0.35
RECQL P46063 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 1/20 0.35
PAOX Q6QHF9 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL21295304 1.00 ALDH1A1 (0.56) ALDH1A1TSHRTP53LMNANFKB1
SCHEMBL8417525 1.00
SCHEMBL18528138 0.97
SCHEMBL7045330 0.88
SCHEMBL2154814 0.85 TSHR (0.72) ALDH1A1TSHRTP53LMNANFKB1
SCHEMBL466419 0.85 TSHR (0.72) ALDH1A1TSHRTP53LMNANFKB1
SCHEMBL7329781 0.85 TSHR (0.72) ALDH1A1TSHRTP53LMNANFKB1
SCHEMBL495310 0.85 TSHR (0.72) ALDH1A1TSHRTP53LMNANFKB1
SCHEMBL6057206 0.85 TSHR (0.72) ALDH1A1TSHRTP53LMNANFKB1
SCHEMBL2154590 0.85 TSHR (0.72) ALDH1A1TSHRTP53LMNANFKB1

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-1082327-A4 PERFLUORINATED ORGANO SUBSTITUTED CYCLOSILOXANES AND COPOLYMERS PREPARED FROM THESE CYCLOSILOXANES CLARIANT LSM ITALIA SPA (US) 2003-04-16 EP disclosed
EP-1082327-A1 PERFLUORINATED ORGANO SUBSTITUTED CYCLOSILOXANES AND COPOLYMERS PREPARED FROM THESE CYCLOSILOXANES Archimica (Florida), Inc. (US) 2001-03-14 EP disclosed
WO-1999062916-A1 PERFLUORINATED ORGANO SUBSTITUTED CYCLOSILOXANES AND COPOLYMERS PREPARED FROM THESE CYCLOSILOXANES ARCHIMICA (FLORIDA) INC. (US) 1999-12-09 WO disclosed
US-4687602-A Novel 2-substituted 3-sulfopropyl-ammonium betaines and processes for making same AKADEMIE DER WISSENSCHAFTEN DER DDR (DD) 1987-08-18 US disclosed