SCHEMBL5733683

SCHEMBL5733683

CC(C)N(CCc1ccc(C(=O)O)cc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 2/20 0.50
RARB P10826 6/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
TAS2R14 Q9NYV8 2/20 0.45
POLB P06746 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
LPAR1 Q92633 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL24835514 0.81 ALDH1A1 (0.50) THRATHRBALDH1A1RARBKMT2A
SCHEMBL27792971 0.81 HDAC1 (0.54) THRATHRBALDH1A1KMT2AMEN1
SCHEMBL83795 0.79 HRH3 (0.58) THRATHRBALDH1A1RARBKMT2A
SCHEMBL2032753 0.78 ALDH1A1 (0.46) ALDH1A1RARBKMT2AMEN1RARA
SCHEMBL14558183 0.78 RARB (0.53) THRATHRBALDH1A1RARBKMT2A
SCHEMBL27977629 0.78 MEN1 (0.46) THRATHRBKMT2AMEN1HDAC1
Hydrochloric Acid SCHEMBL9315082 0.78 HRH3 (0.56) THRATHRBALDH1A1RARBKMT2A
SCHEMBL27534382 0.77 ESR1 (0.52) THRATHRBALDH1A1KMT2ATP53
SCHEMBL11740957 0.77 TAAR1 (0.58) KMT2AMEN1
SCHEMBL1348061 0.76 ALDH1A1 (0.57) ALDH1A1RARBKMT2AMEN1HDAC8

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-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 WO disclosed