SCHEMBL8317472

SCHEMBL8317472

CCC(C)(COC(C)=O)CS(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 3/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
ADRA1A P35348 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL10171465 0.80 ALDH1A1 (0.48) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL15024590 0.80 ALDH1A1 (0.48) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL9679250 0.80 ALDH1A1 (0.37) LMNAHSD17B10TSHRALDH1A1
SCHEMBL9210492 0.79 ALDH1A1 (0.34) LMNAHSD17B10ALDH1A1
SCHEMBL13354559 0.76 CA1 (0.32) TSHRTDP1
SCHEMBL14076148 0.75 ALDH1A1 (0.42) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL3199088 0.73 ALDH1A1 (0.48) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL15542597 0.73 LMNA (0.57) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL13104006 0.73
SCHEMBL8316272 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562439-B1 Triazolopyridazines as antioasthmatics TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-09 EP disclosed
EP-0562440-B1 Imidazopyridazines as antiasthmatics TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-12-23 EP disclosed
US-5491145-A ANTIASTHMA, ANTI-PLATELET ACTIVATING FACTOR BRONCHOCONSTRICTION-INHIBITING AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-13 US disclosed
US-5482939-A ANTI-PLATELET ACTIVATING FACTOR ACTIVITIES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-09 US disclosed
US-5389633-A ANTIASTHMATIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0562439-A1 Triazolopyridazines as antioasthmatics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-29 EP disclosed
EP-0562440-A1 Imidazopyridazines as antiasthmatics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-29 EP disclosed