SCHEMBL11244780

SCHEMBL11244780

CCCCCC(=O)CCc1ccc(CCCCCCCCC(=O)O)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.59
POLB P06746 1/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 1/20 0.59
ALDH1A1 P00352 3/20 0.58
LMNA P02545 1/20 0.58
PRNP P04156 1/20 0.58
RECQL P46063 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
SCD O00767 1/20 0.51
PPARA Q07869 8/20 0.50
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
PTPN1 P18031 3/20 0.50
TLR2 O60603 2/20 0.50
FABP4 P15090 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50

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
SCHEMBL10654575 0.81 TDP1 (0.79) TDP1POLBKMT2AALDH1A1LMNA
SCHEMBL10648666 0.78 TDP1 (0.54) TDP1POLBKMT2AALDH1A1LMNA
SCHEMBL12038476 0.78 RXFP1 (0.64) TDP1POLBKMT2AMAPTALDH1A1
SCHEMBL561348 0.77 KMT2A (1.00) TDP1POLBKMT2AMAPTALDH1A1
SCHEMBL23203393 0.77 KMT2A (1.00) TDP1POLBKMT2AMAPTALDH1A1
SCHEMBL23804131 0.77 KMT2A (1.00) TDP1POLBKMT2AMAPTALDH1A1
SCHEMBL7824955 0.77 KMT2A (1.00) TDP1POLBKMT2AMAPTALDH1A1
SCHEMBL19816485 0.77 KMT2A (1.00) TDP1POLBKMT2AMAPTALDH1A1
SCHEMBL1134681 0.77 KMT2A (1.00) TDP1POLBKMT2AMAPTALDH1A1
SCHEMBL8923831 0.77 ESR1 (0.45) ALDH1A1LMNAESR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309407-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTI-ARTERIOSCLEROTIC A. NATTERMANN & CIE. GMBH (DE) 1982-01-05 US claimed