SCHEMBL9580924

SCHEMBL9580924

OCCCCCCCCCCCOc1ccc(-c2ccc(OCCCCCCCCCCCO)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
HDAC3 O15379 4/20 0.51
HDAC4 P56524 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC7 Q8WUI4 4/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC10 Q969S8 4/20 0.51
HDAC11 Q96DB2 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC6 Q9UBN7 4/20 0.51
HDAC9 Q9UKV0 4/20 0.51
HDAC5 Q9UQL6 4/20 0.51
RARB P10826 3/20 0.51
XDH P47989 1/20 0.49
PRMT1 Q99873 3/20 0.48
F2 P00734 2/20 0.48
ST14 Q9Y5Y6 2/20 0.48
CYP2D6 P10635 2/20 0.48
PLAU P00749 1/20 0.48

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
SCHEMBL242058 1.00 ALDH1A1 (0.52) ALDH1A1RECQLHDAC3HDAC4HDAC1
SCHEMBL2718026 1.00 ALDH1A1 (0.52) ALDH1A1RECQLHDAC3HDAC4HDAC1
SCHEMBL2719087 1.00 ALDH1A1 (0.52) ALDH1A1RECQLHDAC3HDAC4HDAC1
SCHEMBL2719525 1.00 ALDH1A1 (0.52) ALDH1A1RECQLHDAC3HDAC4HDAC1
SCHEMBL22091895 1.00 ALDH1A1 (0.52) ALDH1A1RECQLHDAC3HDAC4HDAC1
SCHEMBL30179782 1.00 ALDH1A1 (0.52) ALDH1A1RECQLHDAC3HDAC4HDAC1
SCHEMBL10723674 0.98 HDAC3 (0.50) ALDH1A1RECQLHDAC3HDAC4HDAC1
SCHEMBL2718049 0.98 ALDH1A1 (0.54) ALDH1A1RECQLHDAC3HDAC4HDAC1
SCHEMBL20122770 0.98 ALDH1A1 (0.54) ALDH1A1RECQLHDAC3HDAC4HDAC1
SCHEMBL19621751 0.93 PRMT1 (0.54) ALDH1A1RECQLPRMT1F2ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5264519-A Liquid crystal polymers BAYER AKTIENGESELLSCHAFT (DE) 1993-11-23 US claimed
JP-4211033-A None JP disclosed
US-5264519-A Liquid crystal polymers BAYER AKTIENGESELLSCHAFT (DE) 1993-11-23 US disclosed
US-5264519-A Liquid crystal polymers BAYER AKTIENGESELLSCHAFT (DE) 1993-11-23 US disclosed
JP-H04211033-A 4,4'-DI-(OMEGA-HYDROXYALKOXY)-BIPHENYL, ITS PREPARATION AND APPLICATION TO POLYURETHANE BAYER AG 1992-08-03 JP disclosed