SCHEMBL9768537

SCHEMBL9768537

O=Cc1cccc2cccc(CCl)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
CYP2A6 P11509 1/20 0.39
ERN1 O75460 3/20 0.35
ALDH1A1 P00352 6/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 3/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
PPARG P37231 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP1B1 Q16678 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
SCHEMBL5150666 0.82 MEN1 (0.41) KMT2AMEN1TDP1LMNATHRB
SCHEMBL31733135 0.82 MEN1 (0.41) KMT2AMEN1TDP1LMNATHRB
SCHEMBL981676 0.79 LMNA (0.55) KMT2AMEN1TDP1LMNATHRB
SCHEMBL30500760 0.79 ALDH1A1 (0.45) KMT2ATHRBALDH1A1HPGDTSHR
SCHEMBL1538691 0.79 ALDH1A1 (0.45) KMT2ATHRBALDH1A1HPGDTSHR
SCHEMBL10628208 0.78 CYP1A2 (0.44) KMT2AMEN1TDP1LMNATHRB
SCHEMBL1350340 0.77 LMNA (0.55) KMT2AMEN1TDP1LMNATHRB
SCHEMBL4944634 0.77 THRB (0.52) KMT2AMEN1TDP1LMNATHRB
SCHEMBL3901145 0.77 ERN1 (0.39) KMT2AMEN1TDP1LMNATHRB
SCHEMBL28025758 0.76 MEN1 (0.42) KMT2AMEN1TDP1LMNATHRB

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-5011918-A Siloxane Derivatives Are Useful In Glass Fiber Sizing Compositions NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1991-04-30 US disclosed
US-4929670-A GLASS SIZING COMPOSITIONS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1990-05-29 US disclosed
US-4839449-A SIZING COMPOSITION FOR GLASS NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1989-06-13 US disclosed