SCHEMBL9053748

SCHEMBL9053748

COC(=O)CCCCCOS(=O)(=O)c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 11/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KMT2A Q03164 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
LTB4R Q15722 1/20 0.40

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
SCHEMBL8779472 0.84 PSMD10 (0.47) KMT2AFNTAFNTBHDAC3HDAC4
SCHEMBL10412216 0.84 PSMD10 (0.47) KMT2AFNTAFNTBHDAC3HDAC4
SCHEMBL13446628 0.84 PSMD10 (0.47) KMT2AFNTAFNTBHDAC3HDAC4
SCHEMBL8427107 0.84 PSMD10 (0.47) KMT2AFNTAFNTBHDAC3HDAC4
SCHEMBL3464668 0.84 PSMD10 (0.47) KMT2AFNTAFNTBHDAC3HDAC4
SCHEMBL26639631 0.84 PSMD10 (0.47) KMT2AFNTAFNTBHDAC3HDAC4
SCHEMBL8779442 0.84 PSMD10 (0.47) KMT2AFNTAFNTBHDAC3HDAC4
SCHEMBL8779386 0.84 PSMD10 (0.47) KMT2AFNTAFNTBHDAC3HDAC4
SCHEMBL4682506 0.81 KMT2A (0.44) FBP1KMT2AALDH1A1
SCHEMBL27337064 0.81 FBP1 (0.46) FBP1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996008577-A1 BIOCONVERSION PROCESS FOR THE SYNTHESIS OF TRANS-HYDROXY SULFONE MERCK & CO., INC. (US) 1996-03-21 WO disclosed
US-5474919-A Bioconversion process for the synthesis of transhydroxy sulfone by Rhodotorula rubra or Rhodotorula piliminae MERCK & CO., INC. (US) 1995-12-12 US disclosed