SCHEMBL6619664

SCHEMBL6619664

CCOC(=O)C(CC)(CC)C(=O)CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TRPA1 O75762 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.41
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34

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
SCHEMBL2322012 0.83 MEN1 (0.47) ALDH1A1TRPA1MEN1KMT2ALMNA
SCHEMBL1244565 0.82 MEN1 (0.54) ALDH1A1TRPA1MEN1KMT2ALMNA
SCHEMBL29963466 0.82 ALDH1A1 (0.39) ALDH1A1TRPA1MEN1KMT2ALMNA
SCHEMBL2316057 0.80 MMP8 (0.42) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL23091475 0.80 MEN1 (0.52) ALDH1A1TRPA1MEN1KMT2ALMNA
SCHEMBL27889245 0.80 MEN1 (0.52) ALDH1A1TRPA1MEN1KMT2ALMNA
Ammonia Solution, Strong SCHEMBL29049233 0.80 MEN1 (0.52) ALDH1A1TRPA1MEN1KMT2ALMNA
Iodide SCHEMBL10533617 0.80 MEN1 (0.52) ALDH1A1TRPA1MEN1KMT2ALMNA
SCHEMBL28258333 0.79 MEN1 (0.44) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL23388903 0.79 MEN1 (0.48) ALDH1A1TRPA1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979231-B1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-11-24 EP disclosed
EP-1123936-B1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-12-10 EP disclosed
US-6627630-B1 Preventing or treating allergic skin diseases such as contact dermatitis, pruritus, dried dermatitis, acute urticaria prurigo and antiallergins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
EP-1243271-A1 NASAL DROPS CONTAINING FUSED PYRIDAZINE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
EP-1123936-A1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed
US-6248740-B1 FOR SUPPRESSION OF HISTAMINE OR EOSINOPHIL CHEMOTAXIS TO TREAT ASTHMA; ANTIALLERGENIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0979231-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998049167-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed