SCHEMBL8315485

SCHEMBL8315485

NS(=O)(=O)CCC1(CO)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
CACNA2D1 P54289 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL31472232 0.90
SCHEMBL8316025 0.79 USP2 (0.36) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL9207799 0.77 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL9208041 0.72
SCHEMBL1129493 0.71 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4023450 0.70 NPSR1 (0.34) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4874234 0.69 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
Cyclopentane SCHEMBL9063797 0.69 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
Cyclohexane SCHEMBL16390833 0.69 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL22444527 0.69 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR

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